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1258503-80-8 | "5-[(2,5-difluorophenyl)methyl]-1,2-oxazole-3-carboxylic acid"
CAS No: 1258503-80-8 Catalog No: AG01FP9I MDL No:MFCD31660909
Product Description
Catalog Number:
AG01FP9I
Chemical Name:
"5-[(2,5-difluorophenyl)methyl]-1,2-oxazole-3-carboxylic acid"
CAS Number:
1258503-80-8
Molecular Formula:
C11H7F2NO3
Molecular Weight:
239.1750
MDL Number:
MFCD31660909
IUPAC Name:
5-[(2,5-difluorophenyl)methyl]-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C11H7F2NO3/c12-7-1-2-9(13)6(3-7)4-8-5-10(11(15)16)14-17-8/h1-3,5H,4H2,(H,15,16)
InChI Key:
XPDBSSSZESBVMA-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cc1onc(c1)C(=O)O)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.178g/mol
Monoisotopic Mass:
239.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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