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140844-80-0 | Benzene, 1-butoxy-3-chloro-2-(chloromethyl)-
CAS No: 140844-80-0 Catalog No: AG001CVS MDL No:
Product Description
Catalog Number:
AG001CVS
Chemical Name:
Benzene, 1-butoxy-3-chloro-2-(chloromethyl)-
CAS Number:
140844-80-0
Molecular Formula:
C11H14Cl2O
Molecular Weight:
233.1343
IUPAC Name:
1-butoxy-3-chloro-2-(chloromethyl)benzene
InChI:
InChI=1S/C11H14Cl2O/c1-2-3-7-14-11-6-4-5-10(13)9(11)8-12/h4-6H,2-3,7-8H2,1H3
InChI Key:
LUDLZQPWKRRBEF-UHFFFAOYSA-N
SMILES:
CCCCOc1cccc(c1CCl)Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.132g/mol
Monoisotopic Mass:
232.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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