Home Carboxys 2-cyclopropyl-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid

2-cyclopropyl-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid

CAS No.:
1698970-59-0
Catalog Number:
AG01BCRG
Molecular Formula:
C8H7F2NO3
Molecular Weight:
203.1429
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Product Description
Catalog Number:
AG01BCRG
Chemical Name:
2-cyclopropyl-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CAS Number:
1698970-59-0
Molecular Formula:
C8H7F2NO3
Molecular Weight:
203.1429
MDL Number:
MFCD28012286
IUPAC Name:
2-cyclopropyl-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C8H7F2NO3/c9-6(10)4-5(8(12)13)14-7(11-4)3-1-2-3/h3,6H,1-2H2,(H,12,13)
InChI Key:
LAJCLOGFJXURPG-UHFFFAOYSA-N
SMILES:
FC(c1nc(oc1C(=O)O)C1CC1)F
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.039g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.145g/mol
Monoisotopic Mass:
203.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties