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1381944-72-4 | [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 2,4'-difluoro-, 3,3'-dimethyl ester
CAS No: 1381944-72-4 Catalog No: AG00187O MDL No:MFCD22375057
Product Description
Catalog Number:
AG00187O
Chemical Name:
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 2,4'-difluoro-, 3,3'-dimethyl ester
CAS Number:
1381944-72-4
Molecular Formula:
C16H12F2O4
Molecular Weight:
306.2609
MDL Number:
MFCD22375057
IUPAC Name:
methyl 2-fluoro-3-(4-fluoro-3-methoxycarbonylphenyl)benzoate
InChI:
InChI=1S/C16H12F2O4/c1-21-15(19)11-5-3-4-10(14(11)18)9-6-7-13(17)12(8-9)16(20)22-2/h3-8H,1-2H3
InChI Key:
BQUOGPOMKJZBFU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1F)c1cccc(c1F)C(=O)OC
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.265g/mol
Monoisotopic Mass:
306.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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