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17404-91-0 | Cinnoline, 6-chloro-
CAS No: 17404-91-0 Catalog No: AG001ZFG MDL No:MFCD26743546
Product Description
Catalog Number:
AG001ZFG
Chemical Name:
Cinnoline, 6-chloro-
CAS Number:
17404-91-0
Molecular Formula:
C8H5ClN2
Molecular Weight:
164.5917
MDL Number:
MFCD26743546
IUPAC Name:
6-chlorocinnoline
InChI:
InChI=1S/C8H5ClN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-5H
InChI Key:
REPNIMYLGTZTNU-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)ccnn2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.592g/mol
Monoisotopic Mass:
164.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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