200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1245646-78-9
1245646-78-9 | 1H-Indazole-1-carboxylic acid, 5-bromo-3-ethyl-, 1,1-dimethylethyl ester
CAS No: 1245646-78-9 Catalog No: AG000MAW MDL No:
Product Description
Catalog Number:
AG000MAW
Chemical Name:
1H-Indazole-1-carboxylic acid, 5-bromo-3-ethyl-, 1,1-dimethylethyl ester
CAS Number:
1245646-78-9
Molecular Formula:
C14H17BrN2O2
Molecular Weight:
325.2010
IUPAC Name:
tert-butyl 5-bromo-3-ethylindazole-1-carboxylate
InChI:
InChI=1S/C14H17BrN2O2/c1-5-11-10-8-9(15)6-7-12(10)17(16-11)13(18)19-14(2,3)4/h6-8H,5H2,1-4H3
InChI Key:
AXXHMYJAROTSOD-UHFFFAOYSA-N
SMILES:
CCc1nn(c2c1cc(Br)cc2)C(=O)OC(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.206g/mol
Monoisotopic Mass:
324.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.