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167954-49-6 | Carbamic acid, 1H-indol-2-yl-, 1,1-dimethylethyl ester
CAS No: 167954-49-6 Catalog No: AG00HZ7U MDL No:MFCD16629876
Product Description
Catalog Number:
AG00HZ7U
Chemical Name:
Carbamic acid, 1H-indol-2-yl-, 1,1-dimethylethyl ester
CAS Number:
167954-49-6
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD16629876
IUPAC Name:
tert-butyl N-(1H-indol-2-yl)carbamate
InChI:
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-11-8-9-6-4-5-7-10(9)14-11/h4-8,14H,1-3H3,(H,15,16)
InChI Key:
KSBPWHKOKZZKKY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc2c([nH]1)cccc2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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