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Home > Bromides > 1257296-40-4
1257296-40-4 | 1H-Indazole-1-carboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS No: 1257296-40-4 Catalog No: AG000OJV MDL No:MFCD22380231
Product Description
Catalog Number:
AG000OJV
Chemical Name:
1H-Indazole-1-carboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS Number:
1257296-40-4
Molecular Formula:
C12H13BrN2O2
Molecular Weight:
297.1478
MDL Number:
MFCD22380231
IUPAC Name:
tert-butyl 3-bromoindazole-1-carboxylate
InChI:
InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-9-7-5-4-6-8(9)10(13)14-15/h4-7H,1-3H3
InChI Key:
VQCLLOZSXYTLKF-UHFFFAOYSA-N
SMILES:
Brc1nn(c2c1cccc2)C(=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:
296.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.152g/mol
Monoisotopic Mass:
296.016g/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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