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122881-57-6 | 1-Cyclohexene-1-carboxylic acid, 2-[[[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]amino]carbonyl]-
CAS No: 122881-57-6 Catalog No: AG000JOQ MDL No:
Product Description
Catalog Number:
AG000JOQ
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 2-[[[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]amino]carbonyl]-
CAS Number:
122881-57-6
Molecular Formula:
C15H13ClF3NO4
Molecular Weight:
363.7162
IUPAC Name:
2-[[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]carbamoyl]cyclohexene-1-carboxylic acid
InChI:
InChI=1S/C15H13ClF3NO4/c16-9-5-10(17)11(6-12(9)24-15(18)19)20-13(21)7-3-1-2-4-8(7)14(22)23/h5-6,15H,1-4H2,(H,20,21)(H,22,23)
InChI Key:
CTGABNJBHNAWDP-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(NC(=O)C2=C(CCCC2)C(=O)O)c(cc1Cl)F)F
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.717g/mol
Monoisotopic Mass:
363.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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