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1227267-12-0 | Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-difluoro-, ethyl ester
CAS No: 1227267-12-0 Catalog No: AG000J37 MDL No:
Product Description
Catalog Number:
AG000J37
Chemical Name:
Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-difluoro-, ethyl ester
CAS Number:
1227267-12-0
Molecular Formula:
C14H17F2NO4
Molecular Weight:
301.2859
IUPAC Name:
ethyl 2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
InChI:
InChI=1S/C14H17F2NO4/c1-5-20-12(18)11-9(15)6-8(7-10(11)16)17-13(19)21-14(2,3)4/h6-7H,5H2,1-4H3,(H,17,19)
InChI Key:
FLLFCXAMQWMTJG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(F)cc(cc1F)NC(=O)OC(C)(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.29g/mol
Monoisotopic Mass:
301.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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