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20724-56-5 | 5-Isoxazolecarboxylic acid, 3-chloro-
CAS No: 20724-56-5 Catalog No: AG002IX7 MDL No:MFCD01716783
Product Description
Catalog Number:
AG002IX7
Chemical Name:
5-Isoxazolecarboxylic acid, 3-chloro-
CAS Number:
20724-56-5
Molecular Formula:
C4H2ClNO3
Molecular Weight:
147.5166
MDL Number:
MFCD01716783
IUPAC Name:
3-chloro-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C4H2ClNO3/c5-3-1-2(4(7)8)9-6-3/h1H,(H,7,8)
InChI Key:
IDKGQUZZCFRJHC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(no1)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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