Home Carboxys 3-Chloroisoxazole-5-carboxylic acid

3-Chloroisoxazole-5-carboxylic acid

CAS No.:
20724-56-5
Catalog Number:
AG002IX7
Molecular Formula:
C4H2ClNO3
Molecular Weight:
147.5166
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$1350
- +
Product Description
Catalog Number:
AG002IX7
Chemical Name:
3-Chloroisoxazole-5-carboxylic acid
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  
Properties