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18813-25-7 | 2-Butanone, 1-bromo-4-[(4-chlorophenyl)sulfonyl]-
CAS No: 18813-25-7 Catalog No: AG002GQ9 MDL No:
Product Description
Catalog Number:
AG002GQ9
Chemical Name:
2-Butanone, 1-bromo-4-[(4-chlorophenyl)sulfonyl]-
CAS Number:
18813-25-7
Molecular Formula:
C10H10BrClO3S
Molecular Weight:
325.6066
IUPAC Name:
1-bromo-4-(4-chlorophenyl)sulfonylbutan-2-one
InChI:
InChI=1S/C10H10BrClO3S/c11-7-9(13)5-6-16(14,15)10-3-1-8(12)2-4-10/h1-4H,5-7H2
InChI Key:
NAJJLBKJETUVOX-UHFFFAOYSA-N
SMILES:
BrCC(=O)CCS(=O)(=O)c1ccc(cc1)Cl
NSC Number:
141087
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.922g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.601g/mol
Monoisotopic Mass:
323.922g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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