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13726-17-5 | Benzenemethanol, 4-chloro-3-methoxy-
CAS No: 13726-17-5 Catalog No: AG00130P MDL No:MFCD15527076
Product Description
Catalog Number:
AG00130P
Chemical Name:
Benzenemethanol, 4-chloro-3-methoxy-
CAS Number:
13726-17-5
Molecular Formula:
C8H9ClO2
Molecular Weight:
172.6089
MDL Number:
MFCD15527076
IUPAC Name:
(4-chloro-3-methoxyphenyl)methanol
InChI:
InChI=1S/C8H9ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
InChI Key:
QLZSSNHHXWSELG-UHFFFAOYSA-N
SMILES:
COc1cc(CO)ccc1Cl
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.608g/mol
Monoisotopic Mass:
172.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis of 2-(4-chlorophenyl)-2-(4-chloro-3-thiophenol)-1,1-dichloroethene (3-SH-DDE) via Newman-Kwart rearrangement - a precursor for synthesis of radiolabeled and unlabeled alkylsulfonyl-DDEs. | Chemosphere 20090801 |
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