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2328-31-6 | Benzenemethanol, 2,3-dichloro-, 1-(N-methylcarbamate)
CAS No: 2328-31-6 Catalog No: AG002MRV MDL No:
Product Description
Catalog Number:
AG002MRV
Chemical Name:
Benzenemethanol, 2,3-dichloro-, 1-(N-methylcarbamate)
CAS Number:
2328-31-6
IUPAC Name:
(2,3-dichlorophenyl)methyl N-methylcarbamate
InChI:
InChI=1S/C9H9Cl2NO2/c1-12-9(13)14-5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,12,13)
InChI Key:
SESJCOBCXSACPH-UHFFFAOYSA-N
EC Number:
219-044-9
UNII:
I0UX2N57CM
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.076g/mol
Monoisotopic Mass:
233.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. | Journal of medicinal chemistry 20081113 |
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