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244768-32-9 | Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-
CAS No: 244768-32-9 Catalog No: AG002O9X MDL No:MFCD08443699
Product Description
Catalog Number:
AG002O9X
Chemical Name:
Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-
CAS Number:
244768-32-9
Molecular Formula:
C11H7ClN4
Molecular Weight:
230.6531
MDL Number:
MFCD08443699
IUPAC Name:
4-[(4-chloropyrimidin-2-yl)amino]benzonitrile
InChI:
InChI=1S/C11H7ClN4/c12-10-5-6-14-11(16-10)15-9-3-1-8(7-13)2-4-9/h1-6H,(H,14,15,16)
InChI Key:
QXCHAADSAYQDHL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Nc1nccc(n1)Cl
EC Number:
607-384-4
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.655g/mol
Monoisotopic Mass:
230.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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