AG00EKLL

648906-28-9 | 1-Bromo-4-(cyclopropanesulfonyl)benzene

AG00EKLL

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CAS Number	648906-28-9
Catalog Number	AG00EKLL(AGN-PC-0AC0VJ)
Chemical Name	1-Bromo-4-(cyclopropanesulfonyl)benzene
IUPAC Name	1-bromo-4-cyclopropylsulfonylbenzene
InChI	InChI=1S/C9H9BrO2S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1-4,9H,5-6H2
InChI Key	YTJMDWOCBCVVGM-UHFFFAOYSA-N
MDL Number	MFCD20441880
Molecular Formula	C9H9BrO2S
Molecular Weight	261.1356
SMILES	O=S(C1=CC=C(Br)C=C1)(C2CC2)=O
Synonyms	1-Bromo-4-(cyclopropylsulfonyl)benzene, 648906-28-9, 1-Bromo-4-(cyclopropanesulfonyl)benzene, Benzene, 1-bromo-4-(cyclopropylsulfonyl)-, ACMC-209noi, SCHEMBL2412999, CTK2A1872, DTXSID00716492, YTJMDWOCBCVVGM-UHFFFAOYSA-N, ANW-34960, KM0888, MFCD20441880, ZINC71494887, 1-bromo-4-cyclopropanesulfonyl-benzene, AKOS015888455, FCH1602803, AJ-118095, AX8229758, TC-123705, FT-0711762, ST24021263, V7116, I01-11083, C9H9BrO2S,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.951g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.133g/mol
Monoisotopic Mass	259.951g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number