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856060-51-0 | 1-Bromo-4-(isobutylsulfonyl);benzene
CAS No: 856060-51-0 Catalog No: AG00513W MDL No:MFCD20441890
Product Description
Catalog Number:
AG00513W
Chemical Name:
1-Bromo-4-(isobutylsulfonyl);benzene
CAS Number:
856060-51-0
Molecular Formula:
C10H13BrO2S
Molecular Weight:
277.1780
MDL Number:
MFCD20441890
IUPAC Name:
1-bromo-4-(2-methylpropylsulfonyl)benzene
InChI:
InChI=1S/C10H13BrO2S/c1-8(2)7-14(12,13)10-5-3-9(11)4-6-10/h3-6,8H,7H2,1-2H3
InChI Key:
PKROCKAQCTYPMT-UHFFFAOYSA-N
SMILES:
CC(CS(=O)(=O)c1ccc(cc1)Br)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.982g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.176g/mol
Monoisotopic Mass:
275.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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