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1242333-56-7 | Carbamic acid, N-(6-phenyl-2-pyrazinyl)-, 1,1-dimethylethyl ester
CAS No: 1242333-56-7 Catalog No: AG000LPD MDL No:
Product Description
Catalog Number:
AG000LPD
Chemical Name:
Carbamic acid, N-(6-phenyl-2-pyrazinyl)-, 1,1-dimethylethyl ester
CAS Number:
1242333-56-7
Molecular Formula:
C15H17N3O2
Molecular Weight:
271.3144
IUPAC Name:
tert-butyl N-(6-phenylpyrazin-2-yl)carbamate
InChI:
InChI=1S/C15H17N3O2/c1-15(2,3)20-14(19)18-13-10-16-9-12(17-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,18,19)
InChI Key:
QVXDULKOBSXSNV-UHFFFAOYSA-N
SMILES:
O=C(Nc1cncc(n1)c1ccccc1)OC(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.32g/mol
Monoisotopic Mass:
271.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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