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19962-20-0 | Benzene, 1-chloro-3-(phenoxymethyl)-
CAS No: 19962-20-0 Catalog No: AG002C9B MDL No:
Product Description
Catalog Number:
AG002C9B
Chemical Name:
Benzene, 1-chloro-3-(phenoxymethyl)-
CAS Number:
19962-20-0
Molecular Formula:
C13H11ClO
Molecular Weight:
218.6788
IUPAC Name:
1-chloro-3-(phenoxymethyl)benzene
InChI:
InChI=1S/C13H11ClO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10H2
InChI Key:
JRHGZRCOZPCVCJ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COc1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.05g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.68g/mol
Monoisotopic Mass:
218.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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