AG00CIU0

35757-20-1 | 2-Bromo-3-nitroaniline

AG00CIU0

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CAS Number	35757-20-1
Catalog Number	AG00CIU0(AGN-PC-001VB2)
Chemical Name	2-Bromo-3-nitroaniline
IUPAC Name	2-bromo-3-nitroaniline
InChI	InChI=1S/C6H5BrN2O2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H,8H2
InChI Key	GDKBUWQOCGJBFX-UHFFFAOYSA-N
MDL Number	MFCD12923157
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	NC1=C(Br)C(=CC=C1)[N+]([O-])=O
Synonyms	2-Bromo-3-nitroaniline, 35757-20-1, Benzenamine,2-bromo-3-nitro-, SCHEMBL2036132, CTK4H5313, KS-00000PAJ, DTXSID20561865, ANW-68685, MFCD12923157, ZINC34321082, AKOS016005996, DS-2546, AJ-87962, AK-74201, CJ-18299, SC-51408, ST2409639, TC-157430, 4CH-016262, W-4461, 2-BROMO-3-NITROBENZENAMINE,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.953g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.022g/mol
Monoisotopic Mass	215.953g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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