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1227270-29-2 | 1H-Indazole-1-carboxylic acid, 6-phenyl-, 1,1-dimethylethyl ester
CAS No: 1227270-29-2 Catalog No: AG000J5G MDL No:
Product Description
Catalog Number:
AG000J5G
Chemical Name:
1H-Indazole-1-carboxylic acid, 6-phenyl-, 1,1-dimethylethyl ester
CAS Number:
1227270-29-2
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
IUPAC Name:
tert-butyl 6-phenylindazole-1-carboxylate
InChI:
InChI=1S/C18H18N2O2/c1-18(2,3)22-17(21)20-16-11-14(9-10-15(16)12-19-20)13-7-5-4-6-8-13/h4-12H,1-3H3
InChI Key:
XLRAUNGCYZUXFZ-UHFFFAOYSA-N
SMILES:
O=C(n1ncc2c1cc(cc2)c1ccccc1)OC(C)(C)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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