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Home > Aldehydes > 871254-61-4
871254-61-4 | 2,4-dichloropyrimidine-5-carbaldehyde
CAS No: 871254-61-4 Catalog No: AG0038E3 MDL No:MFCD11112096
Product Description
Catalog Number:
AG0038E3
Chemical Name:
2,4-dichloropyrimidine-5-carbaldehyde
CAS Number:
871254-61-4
Molecular Formula:
C5H2Cl2N2O
Molecular Weight:
176.9882
MDL Number:
MFCD11112096
IUPAC Name:
2,4-dichloropyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5H2Cl2N2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H
InChI Key:
MTIXQNKVUJSOQH-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1Cl)Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.984g/mol
Monoisotopic Mass:
175.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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