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174180-42-8 | 1H-Indazole-1-carboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester
CAS No: 174180-42-8 Catalog No: AG001ZHM MDL No:MFCD10696844
Product Description
Catalog Number:
AG001ZHM
Chemical Name:
1H-Indazole-1-carboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester
CAS Number:
174180-42-8
Molecular Formula:
C13H15BrN2O2
Molecular Weight:
311.1744
MDL Number:
MFCD10696844
IUPAC Name:
tert-butyl 3-(bromomethyl)indazole-1-carboxylate
InChI:
InChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)16-11-7-5-4-6-9(11)10(8-14)15-16/h4-7H,8H2,1-3H3
InChI Key:
UKADXNQNCAFGTF-UHFFFAOYSA-N
SMILES:
BrCc1nn(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
317
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:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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