AG00FFBB

71785-48-3 | 4-Bromo-2-methyl-5-nitroaniline

AG00FFBB

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CAS Number	71785-48-3
Catalog Number	AG00FFBB(AGN-PC-002Y30)
Chemical Name	4-Bromo-2-methyl-5-nitroaniline
IUPAC Name	4-bromo-2-methyl-5-nitroaniline
InChI	InChI=1S/C7H7BrN2O2/c1-4-2-5(8)7(10(11)12)3-6(4)9/h2-3H,9H2,1H3
InChI Key	VNSOWZDCHBKTGR-UHFFFAOYSA-N
MDL Number	MFCD03942039
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	NC1=CC([N+]([O-])=O)=C(Br)C=C1C
Synonyms	4-Bromo-2-methyl-5-nitroaniline, 71785-48-3, SCHEMBL616063, KS-00001ANV, DTXSID80565107, 2-Methyl-4-bromo-5-nitroaniline, VNSOWZDCHBKTGR-UHFFFAOYSA-N, MFCD03942039, ZINC36532865, AKOS016844691, FCH1317916, FS-5075, RL04739, AJ-93111, AX8253042, 4CH-005585, CS-0039013, FT-0758271, J-514674,

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	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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