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Home > Bromides > 1309978-21-9
1309978-21-9 | Benzene, 1-bromo-2-[(butylthio)methyl]-
CAS No: 1309978-21-9 Catalog No: AG000V9C MDL No:MFCD18311883
Product Description
Catalog Number:
AG000V9C
Chemical Name:
Benzene, 1-bromo-2-[(butylthio)methyl]-
CAS Number:
1309978-21-9
Molecular Formula:
C11H15BrS
Molecular Weight:
259.2058
MDL Number:
MFCD18311883
IUPAC Name:
1-bromo-2-(butylsulfanylmethyl)benzene
InChI:
InChI=1S/C11H15BrS/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7H,2-3,8-9H2,1H3
InChI Key:
USWFJGWXVHQLFT-UHFFFAOYSA-N
SMILES:
CCCCSCc1ccccc1Br
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.205g/mol
Monoisotopic Mass:
258.008g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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