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16181-12-7 | Benzene, 1-broMo-4-[(3-chloropropyl)thio]-
CAS No: 16181-12-7 Catalog No: AG001VWX MDL No:MFCD00091591
Product Description
Catalog Number:
AG001VWX
Chemical Name:
Benzene, 1-broMo-4-[(3-chloropropyl)thio]-
CAS Number:
16181-12-7
Molecular Formula:
C9H10BrClS
Molecular Weight:
265.5977
MDL Number:
MFCD00091591
IUPAC Name:
1-bromo-4-(3-chloropropylsulfanyl)benzene
InChI:
InChI=1S/C9H10BrClS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7H2
InChI Key:
BYTQFUCEFWXUPG-UHFFFAOYSA-N
SMILES:
ClCCCSc1ccc(cc1)Br
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.938g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.593g/mol
Monoisotopic Mass:
263.938g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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