AG00BJ39

2987-49-7 | 2-(Methylsulfonyl)aniline

AG00BJ39

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CAS Number	2987-49-7
Catalog Number	AG00BJ39(AGN-PC-0JOI4B)
Chemical Name	2-(Methylsulfonyl)aniline
IUPAC Name	2-methylsulfonylaniline
InChI	InChI=1S/C7H9NO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChI Key	AUSRSVRJOXYXMI-UHFFFAOYSA-N
MDL Number	MFCD08444390
Molecular Formula	C7H9NO2S
Molecular Weight	171.2169
NSC Number	55747
SMILES	CS(=O)(=O)C1=C(N)C=CC=C1
Synonyms	2-(methylsulfonyl)aniline, 2987-49-7, 2-methanesulfonylaniline, 2-methylsulfonylaniline, 2-(Methylsulphonyl)aniline, 2-(methylsulfonyl)benzenamine, 2-(methylsulfonyl)phenylamine, AUSRSVRJOXYXMI-UHFFFAOYSA-N, Benzenamine, 2-(methylsulfonyl)-, NSC55747, AC1Q4GGD, AC1Q6USL, AC1L6E6J, 2-methanesulfonyl-phenylamine, 2-Aminophenyl methyl sulphone, SCHEMBL857162, CTK1A3531, ZINC153752, KS-00002A2B, MFCD08444390, NSC-55747, AKOS000206761, MCULE-1463267188, NE13865, PS-3911, AJ-13073, AM806834, SY130679, ZB005544, 2-Methanesulfonyl-phenylamine; hydrochloride, FT-0691279, ST50405746, EN300-25505, MFCD08444390 (98%), AE-508/43280886, J-017675, Z212062920, AR-1C9500, CID244659, 205985-95-1, 35164-39-7,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.214g/mol
Monoisotopic Mass	171.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
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Certificate of Analysis

Lot Number