AG003445

5398-77-6 | 4-Methylsulphonyl benzaldehyde

AG003445

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CAS Number	5398-77-6
Catalog Number	AG003445(AGN-PC-0JNA5U)
Chemical Name	4-Methylsulphonyl benzaldehyde
IUPAC Name	4-methylsulfonylbenzaldehyde
InChI	InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChI Key	PSVPUHBSBYJSMQ-UHFFFAOYSA-N
MDL Number	MFCD00216485
Molecular Formula	C8H8O3S
Molecular Weight	184.2123
NSC Number	3011
SMILES	O=Cc1ccc(cc1)S(=O)(=O)C
Synonyms	4-(methylsulfonyl)benzaldehyde, 5398-77-6, 4-methylsulfonylbenzaldehyde, 4-methylsulphonyl benzaldehyde, 4-methanesulfonylbenzaldehyde, 4-methylsulfonyl-benzaldehyde, 4-methanesulfonyl-benzaldehyde, BENZALDEHYDE, 4-(METHYLSULFONYL)-, 4-methylsulphonylbenzaldehyde, 4-(methylsulphonyl)benzaldehyde, NSC3011, PubChem8151, AC1Q4GIF, p-methylsulfonylbenzaldehyde, AC1L58PF, AC1Q6TW1, p-methylsulfonyl-benzaldehyde, 4-methylsulfonyl benzaldehyde, p-Methylsulphonyl benzaldehyde, 4-methanesulfonyl benzaldehyde, KSC493O1H, SCHEMBL607349, CTK3J3713, DTXSID00277593, PSVPUHBSBYJSMQ-UHFFFAOYSA-N, ZINC153759, KS-000001VZ, NSC-3011, 4-Methylsulphonyl benzaldehyde, 95%, ANW-51060, MFCD00216485, SBB005572, STK980611, AKOS005640659, AB04882, CS-W002526, MCULE-4839480965, PS-5995, RTR-037030, TRA0025676, AJ-13079, AK-43980, BP-12660, BR-43980, CJ-01286, SC-05185, SY002002, ZB005550, 4-(Methylsulfonyl)benzaldehyde, AldrichCPR, AB0008412, AB1008408, DB-052422, ST2418028, TR-037030, AM20061181, FT-0616804, FT-0635655, ST50825216, EN300-51882, M-7232, MFCD00216485 (95+%), 398M776, I09-0702, C8H8O3S, 4-Methyl SULFONYLBENZALDEHYDE, AR-1F7113, CID220376, 4-Methylsulphonyl benzaldehyde, 95% - 2.5G 2.5g, 6120-55-4,

Complexity	242
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	-0.1

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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