AG00CAC8

40787-96-0 | 3-Bromo-4-nitroaniline

AG00CAC8

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CAS Number	40787-96-0
Catalog Number	AG00CAC8(AGN-PC-00H4NI)
Chemical Name	3-Bromo-4-nitroaniline
IUPAC Name	3-bromo-4-nitroaniline
InChI	InChI=1S/C6H5BrN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
InChI Key	RLAIFIDRVAAEBW-UHFFFAOYSA-N
MDL Number	MFCD07783047
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	BrC1=C(C=CC(=C1)N)[N+](=O)[O-]
Synonyms	3-bromo-4-nitroaniline, 40787-96-0, 4-Nitro-3-bromoaniline, 4-Amino-2-bromonitrobenzene, Benzenamine, 3-bromo-4-nitro-, 3-bromo-4-nitrobenzenamine, 3-bromo-4-nitrophenylamine, KSC493S8L, 3,2,2-bromo 4-nitroaniline, SCHEMBL1631770, CTK3J3985, DTXSID80474245, BCP21690, KS-000009UZ, ANW-49545, BBL101011, MFCD07783047, SBB095350, STL554805, ZINC16124036, AKOS005256193, AM82814, AS05300, CM11324, CS-W019435, LS10292, PS-5375, RP27026, AJ-68268, AK-35079, BC002766, BR-35079, CJ-15316, SC-44788, SY013802, AB0028220, RT-001805, TL8007213, FT-0647715, ST24028440, X0272, MFCD07783047 (95%), A22630, S-1805, J-515868, C6H5BrN2O2, CID11834877, 913835-26-4, AE-641/04249056,

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	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number