Home Carbonyls 2,5-difluoro-4-(methoxycarbonyl)benzoic acid

2,5-difluoro-4-(methoxycarbonyl)benzoic acid

CAS No.:
2091316-47-9
Catalog Number:
AG01BHZZ
Molecular Formula:
C9H6F2O4
Molecular Weight:
216.1383
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Product Description
Catalog Number:
AG01BHZZ
Chemical Name:
2,5-difluoro-4-(methoxycarbonyl)benzoic acid
CAS Number:
2091316-47-9
Molecular Formula:
C9H6F2O4
Molecular Weight:
216.1383
MDL Number:
MFCD31616117
IUPAC Name:
2,5-difluoro-4-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H6F2O4/c1-15-9(14)5-3-6(10)4(8(12)13)2-7(5)11/h2-3H,1H3,(H,12,13)
InChI Key:
ADEFLIGNYCPJGG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(cc1F)C(=O)O
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.023g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.14g/mol
Monoisotopic Mass:
216.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties