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684220-30-2 | 4,6-Dichloropyrimidine-2-carboxylic acid
CAS No: 684220-30-2 Catalog No: AG0036TW MDL No:MFCD09834770
Product Description
Catalog Number:
AG0036TW
Chemical Name:
4,6-Dichloropyrimidine-2-carboxylic acid
CAS Number:
684220-30-2
Molecular Formula:
C5H2Cl2N2O2
Molecular Weight:
192.9876
MDL Number:
MFCD09834770
IUPAC Name:
4,6-dichloropyrimidine-2-carboxylic acid
InChI:
InChI=1S/C5H2Cl2N2O2/c6-2-1-3(7)9-4(8-2)5(10)11/h1H,(H,10,11)
InChI Key:
XTPRJRYOVQDBID-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(Cl)cc(n1)Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.983g/mol
Monoisotopic Mass:
191.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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