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14160-93-1 | 5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro-
CAS No: 14160-93-1 Catalog No: AG001GOE MDL No:MFCD03789626
Product Description
Catalog Number:
AG001GOE
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro-
CAS Number:
14160-93-1
Molecular Formula:
C5H4ClN3O
Molecular Weight:
157.5578
MDL Number:
MFCD03789626
IUPAC Name:
4-amino-6-chloropyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)
InChI Key:
GOJNFUXEBVBARW-UHFFFAOYSA-N
SMILES:
O=Cc1c(N)ncnc1Cl
EC Number:
238-005-7
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.557g/mol
Monoisotopic Mass:
157.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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