AG00FD1H

683241-86-3 | 4-BROMO-5-(TRIFLUOROMETHYL)-2-NITROBENZENAMINE

AG00FD1H

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CAS Number	683241-86-3
Catalog Number	AG00FD1H(AGN-PC-00EAFW)
Chemical Name	4-BROMO-5-(TRIFLUOROMETHYL)-2-NITROBENZENAMINE
IUPAC Name	4-bromo-2-nitro-5-(trifluoromethyl)aniline
InChI	InChI=1S/C7H4BrF3N2O2/c8-4-2-6(13(14)15)5(12)1-3(4)7(9,10)11/h1-2H,12H2
InChI Key	PXTYWQVWAJBPIB-UHFFFAOYSA-N
MDL Number	MFCD09263997
Molecular Formula	C7H4BrF3N2O2
Molecular Weight	285.0181
SMILES	BrC1=CC(=C(C=C1C(F)(F)F)N)[N+](=O)[O-]
Synonyms	4-bromo-2-nitro-5-(trifluoromethyl)aniline, 683241-86-3, AK-65907, ACMC-1BHVZ, SCHEMBL1796880, CTK5C7807, KS-00000OAG, DTXSID70470756, PXTYWQVWAJBPIB-UHFFFAOYSA-N, ZX-AP011067, ANW-35478, MFCD09263997, PC7517, ZINC38265098, AKOS005073499, AB50364, MCULE-6434543674, MD-0064, RP15628, RTR-022850, 5-Amino-2-bromo-4-nitrobenzotrifluoride, AJ-94854, CJ-19182, AX8206397, TR-022850, CS-0041158, FT-0681706, V7277, 4-Bromo-2-nitro-5-(trifluoromethyl)phenylamine, Benzenamine, 4-bromo-2-nitro-5-(trifluoromethyl)-, J-514683, I14-24774, 4-BROMO-5-(TRIFLUOROMETHYL)-2-NITROBENZENAMINE, C7H4BrF3N2O2, CID11694872, 4-BROMO-5- -2-NITROBENZENAMINE,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.941g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	285.02g/mol
Monoisotopic Mass	283.941g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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