Home Halogens 3-(chloromethyl)-1,2-oxazole-5-carboxylic acid

3-(chloromethyl)-1,2-oxazole-5-carboxylic acid

CAS No.:
870704-23-7
Catalog Number:
AG01E9H0
Molecular Formula:
C5H4ClNO3
Molecular Weight:
161.5432
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Product Description
Catalog Number:
AG01E9H0
Chemical Name:
3-(chloromethyl)-1,2-oxazole-5-carboxylic acid
CAS Number:
870704-23-7
Molecular Formula:
C5H4ClNO3
Molecular Weight:
161.5432
MDL Number:
MFCD31666276
IUPAC Name:
3-(chloromethyl)-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C5H4ClNO3/c6-2-3-1-4(5(8)9)10-7-3/h1H,2H2,(H,8,9)
InChI Key:
IFKNAMMYAQKGNN-UHFFFAOYSA-N
SMILES:
ClCc1noc(c1)C(=O)O
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.988g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.541g/mol
Monoisotopic Mass:
160.988g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties