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129822-43-1 | Carbamic acid, N-(2,4-dimethylphenyl)-, 1,1-dimethylethyl ester
CAS No: 129822-43-1 Catalog No: AG000TPL MDL No:MFCD07127704
Product Description
Catalog Number:
AG000TPL
Chemical Name:
Carbamic acid, N-(2,4-dimethylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
129822-43-1
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD07127704
IUPAC Name:
tert-butyl N-(2,4-dimethylphenyl)carbamate
InChI:
InChI=1S/C13H19NO2/c1-9-6-7-11(10(2)8-9)14-12(15)16-13(3,4)5/h6-8H,1-5H3,(H,14,15)
InChI Key:
QRTZFHHOXLTYQV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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