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157027-31-1 | 3-Quinolinecarbonitrile, 4-azido-2-chloro-
CAS No: 157027-31-1 Catalog No: AG001P67 MDL No:
Product Description
Catalog Number:
AG001P67
Chemical Name:
3-Quinolinecarbonitrile, 4-azido-2-chloro-
CAS Number:
157027-31-1
Molecular Formula:
C10H4ClN5
Molecular Weight:
229.6253
IUPAC Name:
4-azido-2-chloroquinoline-3-carbonitrile
InChI:
InChI=1S/C10H4ClN5/c11-10-7(5-12)9(15-16-13)6-3-1-2-4-8(6)14-10/h1-4H
InChI Key:
UKMDXJYEEGIRAQ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(C#N)c(Cl)nc2c1cccc2
NSC Number:
669167
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.627g/mol
Monoisotopic Mass:
229.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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