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379228-45-2 | 5-Chloro-1,3-benzodioxol-4-amine
CAS No: 379228-45-2 Catalog No: AG0037X5 MDL No:MFCD08275125
Product Description
Catalog Number:
AG0037X5
Chemical Name:
5-Chloro-1,3-benzodioxol-4-amine
CAS Number:
379228-45-2
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD08275125
IUPAC Name:
5-chloro-1,3-benzodioxol-4-amine
InChI:
InChI=1S/C7H6ClNO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3,9H2
InChI Key:
YUTNKFUXNHFBGS-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1N)OCO2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Metabolism of [14C]-5-chloro-1,3-benzodioxol-4-amine in male Wistar-derived rats following intraperitoneal administration. | Xenobiotica; the fate of foreign compounds in biological systems 20070101 |
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