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89193-66-8 | Benzene, 1-bromo-4-(3-chloro-2-methylpropyl)-
CAS No: 89193-66-8 Catalog No: AG004TO7 MDL No:MFCD18909096
Product Description
Catalog Number:
AG004TO7
Chemical Name:
Benzene, 1-bromo-4-(3-chloro-2-methylpropyl)-
CAS Number:
89193-66-8
Molecular Formula:
C10H12BrCl
Molecular Weight:
247.5593
MDL Number:
MFCD18909096
IUPAC Name:
1-bromo-4-(3-chloro-2-methylpropyl)benzene
InChI:
InChI=1S/C10H12BrCl/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,8H,6-7H2,1H3
InChI Key:
WRNMTOJIHZLALF-UHFFFAOYSA-N
SMILES:
ClCC(Cc1ccc(cc1)Br)C
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.56g/mol
Monoisotopic Mass:
245.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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