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180200-86-6 | Benzene, 1-(bromomethyl)-2-chloro-4-(methylsulfonyl)-
CAS No: 180200-86-6 Catalog No: AG0021SN MDL No:MFCD04037959
Product Description
Catalog Number:
AG0021SN
Chemical Name:
Benzene, 1-(bromomethyl)-2-chloro-4-(methylsulfonyl)-
CAS Number:
180200-86-6
Molecular Formula:
C8H8BrClO2S
Molecular Weight:
283.5699
MDL Number:
MFCD04037959
IUPAC Name:
1-(bromomethyl)-2-chloro-4-methylsulfonylbenzene
InChI:
InChI=1S/C8H8BrClO2S/c1-13(11,12)7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3
InChI Key:
FQVJALWTFNYNBL-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1Cl)S(=O)(=O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.912g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.564g/mol
Monoisotopic Mass:
281.912g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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