AG003F36

5395-89-1 | 2-Methylsulfonylbenzaldehyde

AG003F36

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CAS Number	5395-89-1
Catalog Number	AG003F36(AGN-PC-0JNA5V)
Chemical Name	2-Methylsulfonylbenzaldehyde
IUPAC Name	2-methylsulfonylbenzaldehyde
InChI	InChI=1S/C8H8O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-6H,1H3
InChI Key	HFOCAQPWSXBFFN-UHFFFAOYSA-N
MDL Number	MFCD11052332
Molecular Formula	C8H8O3S
Molecular Weight	184.2123
NSC Number	3012
SMILES	CS(=O)(=O)C1=C(C=O)C=CC=C1
Synonyms	2-(Methylsulfonyl)benzaldehyde, 5395-89-1, 2-methylsulfonylbenzaldehyde, 2-Methanesulfonylbenzaldehyde, Benzaldehyde, 2-(methylsulfonyl)-, AK-49874, NSC3012, methylsulfonylbenzaldehyde, AC1Q6USH, methanesulfonyl benzaldehyde, AC1L58PH, SCHEMBL536001, 2-(methylsulphonyl)benzaldehyde, CTK4J9099, KS-00000AYB, Benzaldehyde,2-(methylsulfonyl)-, DTXSID60277594, HFOCAQPWSXBFFN-UHFFFAOYSA-N, EBD31493, NSC-3012, ZINC1666534, ANW-47099, FCH887762, MFCD11052332, AKOS006308932, AC-2925, MP-2015, TRA0086997, AJ-29018, AN-13450, AS-31520, CJ-06051, SC-27217, SY003356, AB0025371, AB1004465, AX8174223, ST2410165, TC-135844, 4CH-009433, W6824, MFCD11052332 (97+%), I01-9910, C8H8O3S, AR-1C9501, CID220377, 6090-15-9,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.019g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.209g/mol
Monoisotopic Mass	184.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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