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21745-41-5 | 1,2-Diamino-3-chlorobenzene
CAS No: 21745-41-5 Catalog No: AG003864 MDL No:MFCD09881742
Product Description
Catalog Number:
AG003864
Chemical Name:
1,2-Diamino-3-chlorobenzene
CAS Number:
21745-41-5
Molecular Formula:
C6H7ClN2
Molecular Weight:
142.5862
MDL Number:
MFCD09881742
IUPAC Name:
3-chlorobenzene-1,2-diamine
InChI:
InChI=1S/C6H7ClN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2
InChI Key:
SAIXZIVDXDTYCH-UHFFFAOYSA-N
SMILES:
Nc1c(N)cccc1Cl
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.586g/mol
Monoisotopic Mass:
142.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. | Journal of medicinal chemistry 20090723 |
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