Home Other Building Blocks 3,6-difluoro-2-formylbenzoic acid

3,6-difluoro-2-formylbenzoic acid

CAS No.:
2138164-58-4
Catalog Number:
AG01ELFN
Molecular Formula:
C8H4F2O3
Molecular Weight:
186.1124
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Product Description
Catalog Number:
AG01ELFN
Chemical Name:
3,6-difluoro-2-formylbenzoic acid
CAS Number:
2138164-58-4
Molecular Formula:
C8H4F2O3
Molecular Weight:
186.1124
MDL Number:
MFCD31448762
IUPAC Name:
3,6-difluoro-2-formylbenzoic acid
InChI:
InChI=1S/C8H4F2O3/c9-5-1-2-6(10)7(8(12)13)4(5)3-11/h1-3H,(H,12,13)
InChI Key:
RBLPZDFPVHBWMK-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)ccc(c1C(=O)O)F
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.013g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.114g/mol
Monoisotopic Mass:
186.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties