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119347-92-1 | Benzene, 1-(bromomethyl)-4-(2-methylpropyl)-
CAS No: 119347-92-1 Catalog No: AG000IMV MDL No:
Product Description
Catalog Number:
AG000IMV
Chemical Name:
Benzene, 1-(bromomethyl)-4-(2-methylpropyl)-
CAS Number:
119347-92-1
Molecular Formula:
C11H15Br
Molecular Weight:
227.1408
IUPAC Name:
1-(bromomethyl)-4-(2-methylpropyl)benzene
InChI:
InChI=1S/C11H15Br/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,9H,7-8H2,1-2H3
InChI Key:
UOAIQCAHLUIZHW-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)CC(C)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.145g/mol
Monoisotopic Mass:
226.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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