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131110-40-2 | Cinnoline, 4-chloro-3-(2-chloroethyl)-
CAS No: 131110-40-2 Catalog No: AG000VJO MDL No:
Product Description
Catalog Number:
AG000VJO
Chemical Name:
Cinnoline, 4-chloro-3-(2-chloroethyl)-
CAS Number:
131110-40-2
Molecular Formula:
C10H8Cl2N2
Molecular Weight:
227.0899
IUPAC Name:
4-chloro-3-(2-chloroethyl)cinnoline
InChI:
InChI=1S/C10H8Cl2N2/c11-6-5-9-10(12)7-3-1-2-4-8(7)13-14-9/h1-4H,5-6H2
InChI Key:
GVCVEPRACVYZMJ-UHFFFAOYSA-N
SMILES:
ClCCc1nnc2c(c1Cl)cccc2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.088g/mol
Monoisotopic Mass:
226.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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