4-Nitroaniline Hydrochloride

CAT: 0926-QAA87351-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-QAA87351-01Size:0.25 g

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CAS Number

15873-51-5

MDL Number

MFCD00054338

Smiles

C1=CC (=CC=C1N) [N+] (=O) [O-].Cl

Molecular Formula

C6H6N2O2·HCl

Molecular Weight

174.58 g/mol

Controlled

Chemical Information

4-Nitroanilinium chloride

CAS Number	15873-51-5
PubChem CID	85156
IUPAC Name	4-nitroaniline;hydrochloride
Molecular Formula	C6H7ClN2O2
Molecular Weight	174.58
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	124

SMILES

C1=CC(=CC=C1N)[N+](=O)[O-].Cl

InChI

InChI=1S/C6H6N2O2.ClH/c7-5-1-3-6(4-2-5)8(9)10;/h1-4H,7H2;1H

InChIKey

LNJUVOPKIUQOQK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15873-51-5

CID: 85156

Formula: C6H7ClN2O2

MW: 174.58

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	174.58
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	174.0196052
Monoisotopic Mass	174.0196052
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	124
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	2
Compound Is Canonicalized	Yes

Catalog	Name
FN34321-01	4-Nitroaniline
YIB58936-01	N- (3-Aminopropyl) -4-methyl-2-nitroaniline hydrochloride
XLD03013-01	3-Iodo-5-nitroaniline hydrochloride
DXC61071-01	2-Bromo-3-nitroaniline hydrochloride
DXC60387	3-Bromo-5-nitroaniline hydrochloride
DXC59009	2-Chloro-3-nitroaniline hydrochloride
LDA41971	N- (2-Aminoethyl) -2-nitroaniline hydrochloride
VAA98367-01	N- (4-Chlorophenyl) -4-nitroaniline
FF64346-01	4-Fluoro-3-nitroaniline
XAA23606-01	2- (Difluoromethoxy) -4-nitroaniline

Catalog	Name
OR80784-01	4-Nitroaniline hydrochloride
OR95248-01	3-Nitroaniline hydrochloride
OR1030272-01	2-Nitroaniline Hydrochloride
N06360-01	P-Nitroaniline hydrochloride
sc-342940A	2-methoxy-5-nitroaniline hydrochloride
OR85727-01	2-Chloro-3-nitroaniline hydrochloride
sc-354493A	N- (3-aminopropyl) -2-nitroaniline hydrochloride
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