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1257535-48-0 | 1H-Indazole-1-carboxylic acid, 5-bromo-4-methyl-, 1,1-dimethylethyl ester
CAS No: 1257535-48-0 Catalog No: AG000OLW MDL No:MFCD16628188
Product Description
Catalog Number:
AG000OLW
Chemical Name:
1H-Indazole-1-carboxylic acid, 5-bromo-4-methyl-, 1,1-dimethylethyl ester
CAS Number:
1257535-48-0
Molecular Formula:
C13H15BrN2O2
Molecular Weight:
311.1744
MDL Number:
MFCD16628188
IUPAC Name:
tert-butyl 5-bromo-4-methylindazole-1-carboxylate
InChI:
InChI=1S/C13H15BrN2O2/c1-8-9-7-15-16(11(9)6-5-10(8)14)12(17)18-13(2,3)4/h5-7H,1-4H3
InChI Key:
QKQQBBWNZUNQIR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1C)cnn2C(=O)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.179g/mol
Monoisotopic Mass:
310.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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