AG003RUP

773134-43-3 | Methyl 4-bromo-2-(methylsulfonyl)benzoate

AG003RUP

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CAS Number	773134-43-3
Catalog Number	AG003RUP(AGN-PC-09SGAA)
Chemical Name	Methyl 4-bromo-2-(methylsulfonyl)benzoate
IUPAC Name	methyl 4-bromo-2-methylsulfonylbenzoate
InChI	InChI=1S/C9H9BrO4S/c1-14-9(11)7-4-3-6(10)5-8(7)15(2,12)13/h3-5H,1-2H3
InChI Key	OMTWUICAKUOXOV-UHFFFAOYSA-N
MDL Number	MFCD06204242
Molecular Formula	C9H9BrO4S
Molecular Weight	293.1344
SMILES	O=C(OC)C1=CC=C(Br)C=C1S(=O)(C)=O
Synonyms	METHYL 4-BROMO-2-(METHYLSULFONYL)BENZOATE, 773134-43-3, methyl 4-bromo-2-methylsulfonylbenzoate, 4-BROMO-2-(METHYLSULFONYL)BENZOIC ACID METHYL ESTER, SCHEMBL1369472, KS-00000BGA, OMTWUICAKUOXOV-UHFFFAOYSA-N, KM1841, ZINC42684522, AKOS015888291, TRA0072544, methyl 4-bromo-2-methanesulfonylbenzoate, AS-31880, Methyl4-Bromo-2-(methylsulfonyl)benzoate, SY007182, AX8173918, DB-075285, TC-308526, FT-0762596, V7715, MFCD06204242 (97+%), C9H9BrO4S, AJ-104635, I01-10437, 21080-92-2,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.94049g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	293.14g/mol
Monoisotopic Mass	291.94049g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.8Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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