AG00367U

55215-57-1 | 3-bromo-5-nitroaniline

AG00367U

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CAS Number	55215-57-1
Catalog Number	AG00367U(AGN-PC-0JKU06)
Chemical Name	3-bromo-5-nitroaniline
IUPAC Name	3-bromo-5-nitroaniline
InChI	InChI=1S/C6H5BrN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2
InChI Key	GWLFQPJKTXGLGD-UHFFFAOYSA-N
MDL Number	MFCD00462820
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	BrC=1C=C(N)C=C(C1)[N+](=O)[O-]
Synonyms	3-bromo-5-nitroaniline, 55215-57-1, AR-BROMO-AR-NITROBENZENAMINE, Benzenamine, 3-bromo-5-nitro-, 3-AMINO-5-BROMONITROBENZENE, 5-AMINO-3-NITRO-BROMOBENZENE, 63460-07-1, AC1L2C1G, (3-bromo-5-nitrophenyl)amine, SCHEMBL1863964, CTK8B7531, DTXSID40212882, GWLFQPJKTXGLGD-UHFFFAOYSA-N, ZINC2000722, 8036AB, ANW-57588, MFCD00462820, AKOS016001410, AS05301, CM11325, LS10065, QC-8996, AJ-32347, AK-64496, BC004500, DS-15582, SC-93786, AB0097657, ST2404967, TC-146333, 4CH-017710, FT-0686962, S-8117, C6H5BrN2O2, CID44535,

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	2.8

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

Lot Number