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1555623-55-6 | 5-Oxazolecarboxylic acid, 2-chloro-
CAS No: 1555623-55-6 Catalog No: AG001NZO MDL No:
Product Description
Catalog Number:
AG001NZO
Chemical Name:
5-Oxazolecarboxylic acid, 2-chloro-
CAS Number:
1555623-55-6
Molecular Formula:
C4H2ClNO3
Molecular Weight:
147.5166
IUPAC Name:
2-chloro-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C4H2ClNO3/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChI Key:
YPVRRKXUYHUYGA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(o1)Cl
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.972g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.514g/mol
Monoisotopic Mass:
146.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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