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272773-14-5 | 5-Isoxazolecarboxamide,3-chloro-(9CI)
CAS No: 272773-14-5 Catalog No: AG00BUYB MDL No:MFCD18821837
Product Description
Catalog Number:
AG00BUYB
Chemical Name:
5-Isoxazolecarboxamide,3-chloro-(9CI)
CAS Number:
272773-14-5
Molecular Formula:
C4H3ClN2O2
Molecular Weight:
146.5318
MDL Number:
MFCD18821837
IUPAC Name:
3-chloro-1,2-oxazole-5-carboxamide
InChI:
InChI=1S/C4H3ClN2O2/c5-3-1-2(4(6)8)9-7-3/h1H,(H2,6,8)
InChI Key:
ZYKWVWLGJYFPAC-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(no1)Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.988g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.53g/mol
Monoisotopic Mass:
145.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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