AG003F31

94532-99-7 | _x005F_x000D_2-(Methylsulfonamido)benzaldehyde

AG003F31

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CAS Number	94532-99-7
Catalog Number	AG003F31(AGN-PC-00BZI5)
Chemical Name	_x005F_x000D_2-(Methylsulfonamido)benzaldehyde
IUPAC Name	N-(2-formylphenyl)methanesulfonamide
InChI	InChI=1S/C8H9NO3S/c1-13(11,12)9-8-5-3-2-4-7(8)6-10/h2-6,9H,1H3
InChI Key	BHUPNWLTAGQULX-UHFFFAOYSA-N
MDL Number	MFCD11052341
Molecular Formula	C8H9NO3S
Molecular Weight	199.2270
SMILES	CS(NC1=C(C=O)C=CC=C1)(=O)=O
Synonyms	2-(METHYLSULFONAMIDO)BENZALDEHYDE, 94532-99-7, N-(2-formylphenyl)methanesulfonamide, Methanesulfonamide, N-(2-formylphenyl)-, o-mesylaminobenzaldehyde, 2-(Mesylamino)benzaldehyde, SCHEMBL3031668, CTK5H6777, KS-00000AYQ, DTXSID90468872, BHUPNWLTAGQULX-UHFFFAOYSA-N, 5295AJ, FCH835127, KM3295, MFCD11052341, ZINC35855061, AKOS006283691, QC-5033, TRA0085958, CS-11035, SY003552, AX8174354, DB-012746, TC-306878, FT-0713603, MFCD11052341 (97+%), N-(2-Formylphenyl)methanesulfonamide, AldrichCPR, I01-9983, C8H9NO3S, CID11579304, 89942-77-8,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.03g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.224g/mol
Monoisotopic Mass	199.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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