AG00II04

942474-24-0 | 2-Bromo-5-methanesulfonylaniline

AG00II04

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CAS Number	942474-24-0
Catalog Number	AG00II04(AGN-PC-0WA69E)
Chemical Name	2-Bromo-5-methanesulfonylaniline
IUPAC Name	2-bromo-5-methylsulfonylaniline
InChI	InChI=1S/C7H8BrNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChI Key	VWPWDTCETLARFC-UHFFFAOYSA-N
MDL Number	MFCD09027715
Molecular Formula	C7H8BrNO2S
Molecular Weight	250.1129
SMILES	NC1=CC(S(=O)(C)=O)=CC=C1Br
Synonyms	2-bromo-5-(methylsulphonyl)aniline, 942474-24-0, 2-bromo-5-methanesulfonylaniline, 2-Bromo-5-methylsulfonylaniline, 2-Bromo-5-(methylsulfonyl)aniline, SCHEMBL1006804, CTK5I7743, DTXSID30650193, VWPWDTCETLARFC-UHFFFAOYSA-N, 2-Bromo-5-(methanesulfonyl)aniline, ZX-AT019506, ANW-55373, MFCD09027715, OR7945, ZINC15443187, 3-Amino-4-bromophenyl methyl sulphone, AKOS009271211, FCH2254676, Benzenamine,2-bromo-5-(methylsulfonyl)-, AJ-67467, Benzenamine, 2-bromo-5-(methylsulfonyl)-, AX8191248, BB0216507, TR-048396, BB 0216507, V9410, C7H8BrNO2S, 13603-93-5,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.946g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	250.11g/mol
Monoisotopic Mass	248.946g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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