AG008J5G

827-32-7 | 4-Bromo-5-methyl-2-nitroaniline

AG008J5G

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CAS Number	827-32-7
Catalog Number	AG008J5G(AGN-PC-03RWLL)
Chemical Name	4-Bromo-5-methyl-2-nitroaniline
IUPAC Name	4-bromo-5-methyl-2-nitroaniline
InChI	InChI=1S/C7H7BrN2O2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,9H2,1H3
InChI Key	POWJQZRBSYOVIJ-UHFFFAOYSA-N
MDL Number	MFCD16619131
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	CC1=CC(N)=C(C=C1Br)[N+]([O-])=O
Synonyms	4-BROMO-5-METHYL-2-NITROANILINE, 827-32-7, Benzenamine, 4-bromo-5-methyl-2-nitro-, 4-BROMO-5-METHYL-2-NITROBENZENAMINE, MFCD16619131, SCHEMBL2344346, CTK8B6977, DTXSID20625976, POWJQZRBSYOVIJ-UHFFFAOYSA-N, 4-bromo-5-methyl-2-nitro-aniline, 2783AC, ANW-55455, QC-781, ZINC72190327, 4-bromo-5-methyl-2-nitro-phenylamine, AKOS016001140, FCH1345925, AC-24717, AN-16356, AS-45773, BL009693, OR400179, AB0087202, AJ-119142, AX8216330, TC-144200, CS-0061234, FT-0686201, 827B327, C7H7BrN2O2,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.969g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.049g/mol
Monoisotopic Mass	229.969g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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

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