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1322-48-1 | Phenol, chloro(phenylmethyl)-
CAS No: 1322-48-1 Catalog No: AG0010DB MDL No:
Product Description
Catalog Number:
AG0010DB
Chemical Name:
Phenol, chloro(phenylmethyl)-
CAS Number:
1322-48-1
Molecular Formula:
C13H11ClO
Molecular Weight:
218.6788
IUPAC Name:
3-benzyl-2-chlorophenol
InChI:
InChI=1S/C13H11ClO/c14-13-11(7-4-8-12(13)15)9-10-5-2-1-3-6-10/h1-8,15H,9H2
InChI Key:
LPGXETZQYQWXOF-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1Cc1ccccc1)Cl
Properties
Complexity:
189
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:
1
Isotope Atom Count:
0
Molecular Weight:
218.68g/mol
Monoisotopic Mass:
218.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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