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Home > Bromides > 1309978-20-8
1309978-20-8 | Benzene, 1-bromo-2-[(cyclopentylthio)methyl]-
CAS No: 1309978-20-8 Catalog No: AG000V9D MDL No:MFCD18262573
Product Description
Catalog Number:
AG000V9D
Chemical Name:
Benzene, 1-bromo-2-[(cyclopentylthio)methyl]-
CAS Number:
1309978-20-8
Molecular Formula:
C12H15BrS
Molecular Weight:
271.2165
MDL Number:
MFCD18262573
IUPAC Name:
1-bromo-2-(cyclopentylsulfanylmethyl)benzene
InChI:
InChI=1S/C12H15BrS/c13-12-8-4-1-5-10(12)9-14-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9H2
InChI Key:
REXVPYWEJRLLSN-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CSC1CCCC1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.216g/mol
Monoisotopic Mass:
270.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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