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885267-08-3 | Benzene,1-bromo-3-[(2,2-difluoroethyl)thio]-
CAS No: 885267-08-3 Catalog No: AG0048F9 MDL No:
Product Description
Catalog Number:
AG0048F9
Chemical Name:
Benzene,1-bromo-3-[(2,2-difluoroethyl)thio]-
CAS Number:
885267-08-3
Molecular Formula:
C8H7BrF2S
Molecular Weight:
253.1070
IUPAC Name:
1-bromo-3-(2,2-difluoroethylsulfanyl)benzene
InChI:
InChI=1S/C8H7BrF2S/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8H,5H2
InChI Key:
XJWRLSBKEVGMCI-UHFFFAOYSA-N
SMILES:
FC(CSc1cccc(c1)Br)F
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.942g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.105g/mol
Monoisotopic Mass:
251.942g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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