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444581-49-1 | 1-Bromo-2-iso-butylthiobenzene
CAS No: 444581-49-1 Catalog No: AG01EW0X MDL No:
Product Description
Catalog Number:
AG01EW0X
Chemical Name:
1-Bromo-2-iso-butylthiobenzene
CAS Number:
444581-49-1
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
IUPAC Name:
1-bromo-2-(2-methylpropylsulfanyl)benzene
InChI:
InChI=1S/C10H13BrS/c1-8(2)7-12-10-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3
InChI Key:
QRAVGYAJPVYHCU-UHFFFAOYSA-N
SMILES:
CC(CSc1ccccc1Br)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.178g/mol
Monoisotopic Mass:
243.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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