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100126-06-5 | Ethanone, 2-bromo-1-[4-[(1-methylethyl)sulfonyl]phenyl]-
CAS No: 100126-06-5 Catalog No: AG00010K MDL No:MFCD13152321
Product Description
Catalog Number:
AG00010K
Chemical Name:
Ethanone, 2-bromo-1-[4-[(1-methylethyl)sulfonyl]phenyl]-
CAS Number:
100126-06-5
Molecular Formula:
C11H13BrO3S
Molecular Weight:
305.1881
MDL Number:
MFCD13152321
IUPAC Name:
2-bromo-1-(4-propan-2-ylsulfonylphenyl)ethanone
InChI:
InChI=1S/C11H13BrO3S/c1-8(2)16(14,15)10-5-3-9(4-6-10)11(13)7-12/h3-6,8H,7H2,1-2H3
InChI Key:
YXVMDLVFQILJSD-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)S(=O)(=O)C(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.977g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.186g/mol
Monoisotopic Mass:
303.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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