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1305320-65-3 | 1H-Indazole-1-carboxylic acid, 4-fluoro-, 1,1-dimethylethyl ester
CAS No: 1305320-65-3 Catalog No: AG000UL2 MDL No:MFCD18911747
Product Description
Catalog Number:
AG000UL2
Chemical Name:
1H-Indazole-1-carboxylic acid, 4-fluoro-, 1,1-dimethylethyl ester
CAS Number:
1305320-65-3
Molecular Formula:
C12H13FN2O2
Molecular Weight:
236.2422
MDL Number:
MFCD18911747
IUPAC Name:
tert-butyl 4-fluoroindazole-1-carboxylate
InChI:
InChI=1S/C12H13FN2O2/c1-12(2,3)17-11(16)15-10-6-4-5-9(13)8(10)7-14-15/h4-7H,1-3H3
InChI Key:
GOJFERPCGZDBQJ-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1cnn2C(=O)OC(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.246g/mol
Monoisotopic Mass:
236.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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