AG00FE9B

66584-32-5 | 3-Bromo-N-methylaniline

AG00FE9B

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CAS Number	66584-32-5
Catalog Number	AG00FE9B(AGN-PC-0LW82P)
Chemical Name	3-Bromo-N-methylaniline
IUPAC Name	3-bromo-N-methylaniline
InChI	InChI=1S/C7H8BrN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChI Key	HKOSFZXROYRVJT-UHFFFAOYSA-N
MDL Number	MFCD05664376
Molecular Formula	C7H8BrN
Molecular Weight	186.0491
SMILES	CNC1=CC=CC(Br)=C1
Synonyms	3-Bromo-N-methylaniline, 66584-32-5, n-methyl-3-bromoaniline, 3-bromo-N-methyl aniline, Benzenamine, 3-bromo-N-methyl-, MFCD05664376, 3-Bromo-N-methylaniline, 98%, ACMC-20an89, (3-bromophenyl)-methylamine, (3-bromo-phenyl)-methyl-amine, AC1Q40X2, SCHEMBL2085402, 3-Bromo-N-methylaniline, 97%, CTK8C5951, DTXSID80426986, HKOSFZXROYRVJT-UHFFFAOYSA-N, KS-00000NJ6, ZINC2548329, AKOS000254254, CS-W004947, DS-5756, MCULE-8388232714, AJ-39518, AK112706, BP-21282, CJ-09324, ST2417577, TC-169776, Z5012, EN300-45228, M-9121, I14-108184, Z1217910532, C7H8BrN, (3-bromophenyl)methylamine, ZINC02548329, CID7018299,

Complexity	85
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.984g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.052g/mol
Monoisotopic Mass	184.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number