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14160-94-2 | 4-Chloro-6-(methylamino)pyrimidine-5-carbaldehyde
CAS No: 14160-94-2 Catalog No: AG00A14M MDL No:MFCD20661553
Product Description
Catalog Number:
AG00A14M
Chemical Name:
4-Chloro-6-(methylamino)pyrimidine-5-carbaldehyde
CAS Number:
14160-94-2
Molecular Formula:
C6H6ClN3O
Molecular Weight:
171.5843
MDL Number:
MFCD20661553
IUPAC Name:
4-chloro-6-(methylamino)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C6H6ClN3O/c1-8-6-4(2-11)5(7)9-3-10-6/h2-3H,1H3,(H,8,9,10)
InChI Key:
BCMOVOOMPUFQKV-UHFFFAOYSA-N
SMILES:
CNc1ncnc(c1C=O)Cl
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.584g/mol
Monoisotopic Mass:
171.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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