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208166-48-7 | Carbamic acid, (3-amino-2,4-difluorophenyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 208166-48-7 Catalog No: AG002JIR MDL No:MFCD13182489
Product Description
Catalog Number:
AG002JIR
Chemical Name:
Carbamic acid, (3-amino-2,4-difluorophenyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
208166-48-7
Molecular Formula:
C11H14F2N2O2
Molecular Weight:
244.2379
MDL Number:
MFCD13182489
IUPAC Name:
tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate
InChI:
InChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15-7-5-4-6(12)9(14)8(7)13/h4-5H,14H2,1-3H3,(H,15,16)
InChI Key:
YLESTKCQLPTXBC-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1F)N)F)OC(C)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.242g/mol
Monoisotopic Mass:
244.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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