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1381944-53-1 | [1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-4'-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 1381944-53-1 Catalog No: AG00186S MDL No:MFCD22375074
Product Description
Catalog Number:
AG00186S
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-4'-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1381944-53-1
Molecular Formula:
C22H18FNO4
Molecular Weight:
379.3810
MDL Number:
MFCD22375074
IUPAC Name:
methyl 4-fluoro-3-[4-(phenylmethoxycarbonylamino)phenyl]benzoate
InChI:
InChI=1S/C22H18FNO4/c1-27-21(25)17-9-12-20(23)19(13-17)16-7-10-18(11-8-16)24-22(26)28-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,26)
InChI Key:
MPOOGJWTNXITSO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)c1ccc(cc1)NC(=O)OCc1ccccc1)F
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.122g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.387g/mol
Monoisotopic Mass:
379.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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