AG003LSS

5470-49-5 | 4-(Methylsulfonyl)aniline

AG003LSS

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CAS Number	5470-49-5
Catalog Number	AG003LSS(AGN-PC-0JLS4N)
Chemical Name	4-(Methylsulfonyl)aniline
EC Number	226-803-8
IUPAC Name	4-methylsulfonylaniline
InChI	InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChI Key	XJEVFFNOMKXBLU-UHFFFAOYSA-N
MDL Number	MFCD00025353
Molecular Formula	C7H9NO2S
Molecular Weight	171.2169
SMILES	S(=O)(=O)(C)c1ccc(cc1)N
Synonyms	4-(methylsulfonyl)aniline, 4-(Methylsulfonyl)aniline, 5470-49-5, 4-methylsulfonylaniline, 4-(methylsulphonyl)aniline, 4-Mesylaniline, 4-methanesulfonylaniline, (4-Methylsulfonyl)aniline, Benzenamine, 4-(methylsulfonyl)-, 4-methylsulphonylaniline, Benzeneamine, 4-methylsulfonyl-, p-(Methylsulfonyl)aniline, 4-AMINOPHENYL METHYL SULFONE, p-aminophenyl methyl sulfone, 4-Aminophenyl methyl sufhone, 4-(methylsulfonyl)benzenamine, XJEVFFNOMKXBLU-UHFFFAOYSA-N, MFCD00025353, 4-(methylsulfonyl)phenylamine, NSC27552, EINECS 226-803-8, p-Methylsulfonylaniline, 4-methyl sulfonylaniline, ACMC-1AQWY, 4-methanesulphonylaniline, AI3-08088, 4-methanesulfonyl-aniline, AC1Q4GJD, AC1Q6UDO, 4-methanesulfonylphenylamine, AC1L2XS0, 4-methanesulphonylphenylamine, SCHEMBL55092, 4-Methanesulfonyl-phenylamine, 4-methanesulphonyl-phenylamine, KSC493E3B, MLS000100546, Aniline, p-(methylsulfonyl)-, 4-(methylsulfonyl)-phenylamine, IFLab1_000204, (4-methylsulfonyl-phenyl)-amine, CHEMBL1329603, CTK3J3230, DTXSID50203165, HMS1412J06, HMS2258O15, ZINC153753, ALBB-006031, ANW-32172, NSC-27552, NSC229035, SBB048033, STK503678, AKOS000206762, AB01467, AC-1924, CS-W005110, MCULE-8122665305, NSC-229035, RP23351, RTC-066573, SDCCGMLS-0061734.P002, TRA0051226, VZ27923, IDI1_008423, KS-000009S8, 4-aminophenyl methyl sulfone, AldrichCPR, AJ-13074, AK-32256, AN-14461, BC213367, BP-21471, BR-32256, CJ-01282, S624, SC-15693, SMR000017438, ZB005545, AB0000473, AB1003334, ST2411019, TC-066573, AM20061075, FT-0635751, ST50405745, EN300-14448, M-2792, 470M495, 9X-0815, I01-1062, J-501447, Z85926241, F0051-0005, InChI=1/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H, 4-Aminophenyl methyl sulfone; 4-Methylsulfonylaniline; 4-(methylsulfonyl)-Benzenamine; p-(Methylsulfonyl)aniline, 4-(Methansulfonyl)aniline, C7H9NO2S, 4-methylsulfonylaniline Hydrochloride, C7-H9-N-O2-S, CID79617, AR-1K9566, A2725, 177662-76-9, 707-55-1,

Complexity	209
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	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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