4-Hydroxy-3-nitrobenzyl alcohol

CAT: 0926-FH66790-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FH66790-01Size:5 g

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CAS Number

41833-13-0

MDL Number

MFCD00024249

Smiles

C1=CC (=C (C=C1CO) [N+] (=O) [O-]) O

Molecular Formula

C7H7NO4

Molecular Weight

169.13 g/mol

Controlled

Chemical Information

4-Hydroxy-3-nitrobenzyl alcohol

CAS Number	41833-13-0
PubChem CID	142550
IUPAC Name	4-(hydroxymethyl)-2-nitrophenol
Molecular Formula	C7H7NO4
Molecular Weight	169.13
XLogP	1.1
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

C1=CC(=C(C=C1CO)[N+](=O)[O-])O

InChI

InChI=1S/C7H7NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,9-10H,4H2

InChIKey

IMLGJYRKLCMJPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41833-13-0

CID: 142550

Formula: C7H7NO4

MW: 169.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.13
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	169.03750770
Monoisotopic Mass	169.03750770
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
FH67566-01	3-Hydroxy-2-nitrobenzyl alcohol
FN14777-01	4-Nitrobenzyl alcohol
KCA46312	5-Hydroxy-2-nitrobenzyl alcohol
FF10251-01	4-Fluoro-3-nitrobenzyl alcohol
FC54877-01	4-Chloro-3-nitrobenzyl alcohol
NEA37268-01	3-Chloro-4-nitrobenzyl alcohol
FN33824-01	3-Nitrobenzyl alcohol
FD67547-01	3,4-Dihydroxy-2-nitrobenzyl alcohol
XAA16215	2-Methyl-4-nitrobenzyl alcohol
XAA99618-01	4-Chloro-2-nitrobenzyl alcohol

Catalog	Name
M29533-01	4-Hydroxy-3-Nitrobenzyl Alcohol
sc-265721	2-hydroxy-4-nitrobenzyl alcohol
285038-01	4-Nitrobenzyl alcohol
PC500440	2-Fluoro-4-hydroxy-5-nitrobenzyl alcohol
sc-233374	5-Hydroxy-2-nitrobenzyl alcohol
270224-01	4-Chloro-3-nitrobenzyl alcohol
abx185144-01	3-Methoxy-4-Nitrobenzyl Alcohol
PC4403-01	3-Fluoro-4-nitrobenzyl alcohol
OR401022-01	3-Chloro-4-nitrobenzyl alcohol
sc-231847	3-Methyl-4-nitrobenzyl alcohol