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178308-61-7 | 6-Phthalazinecarbonitrile, 1,4-dichloro-
CAS No: 178308-61-7 Catalog No: AG0025XB MDL No:
Product Description
Catalog Number:
AG0025XB
Chemical Name:
6-Phthalazinecarbonitrile, 1,4-dichloro-
CAS Number:
178308-61-7
Molecular Formula:
C9H3Cl2N3
Molecular Weight:
224.0462
IUPAC Name:
1,4-dichlorophthalazine-6-carbonitrile
InChI:
InChI=1S/C9H3Cl2N3/c10-8-6-2-1-5(4-12)3-7(6)9(11)14-13-8/h1-3H
InChI Key:
FRJDQOMCKHDEJQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(Cl)nnc2Cl
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.97g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.044g/mol
Monoisotopic Mass:
222.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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