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31089-49-3 | Phenol, 2-chloro-4-(phenylmethyl)-
CAS No: 31089-49-3 Catalog No: AG003235 MDL No:
Product Description
Catalog Number:
AG003235
Chemical Name:
Phenol, 2-chloro-4-(phenylmethyl)-
CAS Number:
31089-49-3
Molecular Formula:
C13H11ClO
Molecular Weight:
218.6788
IUPAC Name:
4-benzyl-2-chlorophenol
InChI:
InChI=1S/C13H11ClO/c14-12-9-11(6-7-13(12)15)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
InChI Key:
SBMDBLZQVGUFAI-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1Cl)Cc1ccccc1
EC Number:
250-460-3
NSC Number:
17285
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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