4-[ (1S) -1-Hydroxyethyl]-2-nitrophenol

CAT: 0926-HCD08963-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-HCD08963-01Size:50 mg

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CAS Number

1932089-63-8

MDL Number

MFCD22570060

Smiles

CC (C1=CC (=C (C=C1) O) [N+] (=O) [O-]) O

Molecular Formula

C8H9NO4

Molecular Weight

183.2 g/mol

Controlled

Chemical Information

4-((1S)-1-hydroxyethyl)-2-nitrophenol

CAS Number	1932089-63-8
PubChem CID	92466487
IUPAC Name	4-[(1S)-1-hydroxyethyl]-2-nitrophenol
Molecular Formula	C8H9NO4
Molecular Weight	183.16
XLogP	1.5
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	191

SMILES

C[C@@H](C1=CC(=C(C=C1)O)[N+](=O)[O-])O

InChI

InChI=1S/C8H9NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-5,10-11H,1H3/t5-/m0/s1

InChIKey

YFJFHPWXFUVRCD-YFKPBYRVSA-N

Chemical Structure

2D Structure

CAS: 1932089-63-8

CID: 92466487

Formula: C8H9NO4

MW: 183.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.16
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	183.05315777
Monoisotopic Mass	183.05315777
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	191
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HCD41635-01	4-[ (1R) -1-Hydroxyethyl]-2-nitrophenol
TDA78159-01	4-[ (1S) -1-Hydroxyethyl]phenol
SBA59989-01	2-[ (1S) -1-Hydroxyethyl]-1,4-dihydroquinazolin-4-one
CEA68171-01	Methyl 4-[ (1S) -1-hydroxyethyl]benzoate
VIA94820-01	4-[ (1S) -1-Hydroxyethyl]benzene-1-sulfonamide
LDC88903-01	Methyl 4- ((1S) -1-amino-2-hydroxyethyl) benzoate hydrochloride
IKA52551-01	3-[ (1S) -1-Hydroxyethyl]benzonitrile
UHA54544-01	3-[ (1S) -1-Hydroxyethyl]phenol
FB18378-01	(1S,2R) -2- (2-Benzylamino-1-hydroxyethyl) -6-fluorochromane
XEC45260-01	3-[ (1S) -1-Hydroxyethyl]benzene-1-sulfonamide

Catalog	Name
sc-354330A	N- (2-furylmethyl) -4-[ (1S) -1-hydroxyethyl]benzenesulfonamide
TRC-B225935-50MG	(1S,2R)-2-(2-Benzylamino-1-hydroxyethyl)-6-fluorochromane
sc-396060	(1S,2R) -2- (2-Benzylamino-1-hydroxyethyl) -6-fluorochromane
GTR19276961-01	Methyl (1S,2R) -2- (2-hydroxyethyl) cyclopropane-1-carboxylate
OR79797-01	Methyl 4-[ (1s) -1-hydroxyethyl]benzoate
JH917444	TERT-BUTYL N-[ (1S) -1-CYCLOPROPYL-2-HYDROXYETHYL]CARBAMATE
sc-355457A	N-{4-[ (1S) -2-chloro-1-hydroxyethyl]phenyl}methanesulfonamide
sc-348489	4-[ (1S) -2-bromo-1-hydroxyethyl]-N, N-diethylbenzenesulfonamide
AP KR 0039-01	1-hydroxy-2-[ (1S) -1-hydroxyethyl]anthracene-9,10-dione
OR1031482-01	Tert-Butyl (2S) -2-[ (1S) -1-hydroxyethyl]pyrrolidine-1-carboxylate