AG003JSY

33240-96-9 | 3-Nitroaniline HCl

AG003JSY

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CAS Number	33240-96-9
Catalog Number	AG003JSY(AGN-PC-0R8RXB)
Chemical Name	3-Nitroaniline HCl
EC Number	251-421-3
IUPAC Name	3-nitroaniline;hydrochloride
InChI	InChI=1S/C6H6N2O2.ClH/c7-5-2-1-3-6(4-5)8(9)10;/h1-4H,7H2;1H
InChI Key	FWUUMDDHHPVSPL-UHFFFAOYSA-N
MDL Number	MFCD00050693
Molecular Formula	C6H7ClN2O2
Molecular Weight	174.5850
SMILES	NC1=CC=CC([N+]([O-])=O)=C1.[H]Cl
Synonyms	3-Nitroaniline hydrochloride, 33240-96-9, 3-Nitroaniline HCl, ACMC-209hzp, 3-NitroanilineHydrochloride, SCHEMBL8396231, CTK8B1477, FWUUMDDHHPVSPL-UHFFFAOYSA-N, ANW-27587, MFCD00050693, SBB073008, AKOS024299762, MCULE-7482483858, KS-000013X4, 3-NITRO-PHENYLAMINE, HYDROCHLORIDE, TC-116332, N0120, ST45255334, I14-108513, 3-Nitroanilinium chloride, m-Nitroaniline hydrochloride, C6H6N2O2.ClH, C6-H6-N2-O2.Cl-H, EINECS 251-421-3, ANILINE, m-NITRO-, MONOHYDROCHLORIDE, Benzenamine, 3-nitro-, monohydrochloride,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	174.584g/mol
Monoisotopic Mass	174.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code

Certificate of Analysis

Lot Number