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155301-82-9 | Carbamic acid, [2-(2-aminophenyl)-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 155301-82-9 Catalog No: AG001NSS MDL No:MFCD11506032
Product Description
Catalog Number:
AG001NSS
Chemical Name:
Carbamic acid, [2-(2-aminophenyl)-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
155301-82-9
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
MDL Number:
MFCD11506032
IUPAC Name:
tert-butyl N-[2-(2-aminophenyl)-2-oxoethyl]carbamate
InChI:
InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-8-11(16)9-6-4-5-7-10(9)14/h4-7H,8,14H2,1-3H3,(H,15,17)
InChI Key:
MBDORYDRQITIGV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(=O)c1ccccc1N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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