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944901-20-6 | 4-Chloropyrimidine-2-carboxylic acid
CAS No: 944901-20-6 Catalog No: AG003L48 MDL No:MFCD10000621
Product Description
Catalog Number:
AG003L48
Chemical Name:
4-Chloropyrimidine-2-carboxylic acid
CAS Number:
944901-20-6
Molecular Formula:
C5H3ClN2O2
Molecular Weight:
158.5425
MDL Number:
MFCD10000621
IUPAC Name:
4-chloropyrimidine-2-carboxylic acid
InChI:
InChI=1S/C5H3ClN2O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)
InChI Key:
UURIMXSRDJGGFO-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(Cl)ccn1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.541g/mol
Monoisotopic Mass:
157.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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