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119-56-2 | Benzenemethanol, 4-chloro-α-phenyl-
CAS No: 119-56-2 Catalog No: AG000P06 MDL No:MFCD00004491
Product Description
Catalog Number:
AG000P06
Chemical Name:
Benzenemethanol, 4-chloro-α-phenyl-
CAS Number:
119-56-2
Molecular Formula:
C13H11ClO
Molecular Weight:
218.6788
MDL Number:
MFCD00004491
IUPAC Name:
(4-chlorophenyl)-phenylmethanol
InChI:
InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H
InChI Key:
AJYOOHCNOXWTKJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1ccccc1)O
EC Number:
204-333-4
NSC Number:
59990
Properties
Complexity:
181
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Global antifungal profile optimization of chlorophenyl derivatives against Botrytis cinerea and Colletotrichum gloeosporioides. | Journal of agricultural and food chemistry 20090610 |
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