AG003J12

254878-96-1 | 3-Bromo-4-(methylsulfonyl)benzaldehyde

AG003J12

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CAS Number	254878-96-1
Catalog Number	AG003J12(AGN-PC-039458)
Chemical Name	3-Bromo-4-(methylsulfonyl)benzaldehyde
IUPAC Name	3-bromo-4-methylsulfonylbenzaldehyde
InChI	InChI=1S/C8H7BrO3S/c1-13(11,12)8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChI Key	VQVXLUIYQIQWLH-UHFFFAOYSA-N
MDL Number	MFCD13191600
Molecular Formula	C8H7BrO3S
Molecular Weight	263.1084
SMILES	CS(=O)(=O)C1=C(C=C(C=C1)C=O)Br
Synonyms	3-BROMO-4-(METHYLSULFONYL)BENZALDEHYDE, 254878-96-1, 3-bromo-4-methylsulfonylbenzaldehyde, ACMC-209gkd, SCHEMBL7017664, CTK8B1312, KS-00000AZL, DTXSID40611639, VQVXLUIYQIQWLH-UHFFFAOYSA-N, ANW-25739, MFCD13191600, ZINC42684451, AKOS015888292, FCH1381526, TRA0070361, 3-Bromo-4-(methanesulfonyl)benzaldehyde, ACM254878961, AS-31626, SY006894, AB0064151, AB1000825, AJ-104590, AX8174138, DB-067404, TC-114484, 3-Bromo-4-(methylsulfonyl)benzaldehyde 97%, FT-0731012, V4702, K-6683, MFCD13191600 (97+%), 3-Bromo-4-(methylsulfonyl)benzaldehyde, AldrichCPR, I01-10468, null, C8H7BrO3S,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.93g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.105g/mol
Monoisotopic Mass	261.93g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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