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139155-55-8 | Benzene, 1-bromo-3-(2-methylpropyl)-
CAS No: 139155-55-8 Catalog No: AG001AFH MDL No:MFCD26405543
Product Description
Catalog Number:
AG001AFH
Chemical Name:
Benzene, 1-bromo-3-(2-methylpropyl)-
CAS Number:
139155-55-8
Molecular Formula:
C10H13Br
Molecular Weight:
213.1142
MDL Number:
MFCD26405543
IUPAC Name:
1-bromo-3-(2-methylpropyl)benzene
InChI:
InChI=1S/C10H13Br/c1-8(2)6-9-4-3-5-10(11)7-9/h3-5,7-8H,6H2,1-2H3
InChI Key:
YSJTXBKDIUSLGN-UHFFFAOYSA-N
SMILES:
CC(Cc1cccc(c1)Br)C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.118g/mol
Monoisotopic Mass:
212.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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