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1277179-33-5 | 5-Pyrimidinecarbonitrile, 2-amino-4,6-dichloro-
CAS No: 1277179-33-5 Catalog No: AG000XBZ MDL No:MFCD20727436
Product Description
Catalog Number:
AG000XBZ
Chemical Name:
5-Pyrimidinecarbonitrile, 2-amino-4,6-dichloro-
CAS Number:
1277179-33-5
Molecular Formula:
C5H2Cl2N4
Molecular Weight:
189.0022
MDL Number:
MFCD20727436
IUPAC Name:
2-amino-4,6-dichloropyrimidine-5-carbonitrile
InChI:
InChI=1S/C5H2Cl2N4/c6-3-2(1-8)4(7)11-5(9)10-3/h(H2,9,10,11)
InChI Key:
UGPXXWQEKARQTD-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(nc1Cl)N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.966g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.999g/mol
Monoisotopic Mass:
187.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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