(2-Nitrophenyl) (Phenyl) Methanol

CAT: 0127-OR1026653-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1026653-01Size:100 mg

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CAS Number

5176-12-5

Synonyms

(2-nitrophenyl) -phenylmethanol

Purity

98%

Smiles

C1=CC=C(C=C1)C(C2=CC=CC=C2[N+](=O)[O-])O

Chemical Information

(2-Nitrophenyl)(phenyl)methanol

CAS Number	5176-12-5
PubChem CID	555674
IUPAC Name	(2-nitrophenyl)-phenylmethanol
Molecular Formula	C13H11NO3
Molecular Weight	229.23
XLogP	2.6
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	258

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C13H11NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13,15H

InChIKey

AIHHQWUKHCUKLJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5176-12-5

CID: 555674

Formula: C13H11NO3

MW: 229.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.23
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	229.07389321
Monoisotopic Mass	229.07389321
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	258
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1092005-01	(2- (dimethylamino) phenyl) (phenyl) methanol
OR1080389-01	(2- (methoxymethyl) phenyl) (phenyl) methanol
OR1088668-01	(2- (methylthio) phenyl) (phenyl) methanol
OR1048300-01	(2- (Hydroxymethyl) phenyl) (phenyl) methanol
PC1011035-01	Phenyl (2- (trifluoromethoxy) phenyl) methanol
OR1041581-01	(4-Iodo-2-nitrophenyl) methanol
OR1031207-01	(5-Amino-2-nitrophenyl) methanol
OR950008-01	(2-Methyl-6-nitrophenyl) methanol
OR90220-01	(2-Methyl-4-nitrophenyl) methanol
OR94287-01	(2-Methoxy-5-nitrophenyl) methanol

Catalog	Name
sc-349080A	(4-amino-3-nitrophenyl) (phenyl) methanol
JH919509	(2- (Hydroxymethyl) phenyl) (phenyl) methanol
JH444530	(2-CHLORO-PHENYL) -PHENYL-METHANOL
XAA78849-01	(2-Methoxyphenyl) (phenyl) methanol
FB139993	(2- (Bromomethyl) phenyl) methanol
IBA38477-01	[2- (Methylsulfanyl) phenyl]methanol
BAA52714-01	[2- (Phenylsulfanyl) phenyl]methanol
MCA17288-01	[2- (Methoxymethyl) phenyl]methanol
462435-01	Phenyl (2-pyridinyl) methanol
sc-340094A	[2- (aminomethyl) phenyl]methanol