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Home > Fluorides > 129589-62-4
129589-62-4 | Carbamic acid, N-(3,5-difluorophenyl)-, 1,1-dimethylethyl ester
CAS No: 129589-62-4 Catalog No: AG000Z8H MDL No:MFCD11976720
Product Description
Catalog Number:
AG000Z8H
Chemical Name:
Carbamic acid, N-(3,5-difluorophenyl)-, 1,1-dimethylethyl ester
CAS Number:
129589-62-4
Molecular Formula:
C11H13F2NO2
Molecular Weight:
229.2232
MDL Number:
MFCD11976720
IUPAC Name:
tert-butyl N-(3,5-difluorophenyl)carbamate
InChI:
InChI=1S/C11H13F2NO2/c1-11(2,3)16-10(15)14-9-5-7(12)4-8(13)6-9/h4-6H,1-3H3,(H,14,15)
InChI Key:
BQSNOLRXRLZOMR-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(F)cc(c1)F)OC(C)(C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.227g/mol
Monoisotopic Mass:
229.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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