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1476776-76-7 | 1H-Indazole-7-carboxamide, N-(1,1-dimethylethyl)-
CAS No: 1476776-76-7 Catalog No: AG001F2B MDL No:MFCD27987843
Product Description
Catalog Number:
AG001F2B
Chemical Name:
1H-Indazole-7-carboxamide, N-(1,1-dimethylethyl)-
CAS Number:
1476776-76-7
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD27987843
IUPAC Name:
N-tert-butyl-1H-indazole-7-carboxamide
InChI:
InChI=1S/C12H15N3O/c1-12(2,3)14-11(16)9-6-4-5-8-7-13-15-10(8)9/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChI Key:
WRDUXSGUYODZGR-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1[nH]nc2)NC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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