200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1169789-29-0
1169789-29-0 | 1H-Indazole-1-carboxylic acid, 6-broMo-4-Methoxy-, 1,1-diMethylethyl ester
CAS No: 1169789-29-0 Catalog No: AG000DFC MDL No:MFCD23134666
Product Description
Catalog Number:
AG000DFC
Chemical Name:
1H-Indazole-1-carboxylic acid, 6-broMo-4-Methoxy-, 1,1-diMethylethyl ester
CAS Number:
1169789-29-0
Molecular Formula:
C13H15BrN2O3
Molecular Weight:
327.1738
MDL Number:
MFCD23134666
IUPAC Name:
tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate
InChI:
InChI=1S/C13H15BrN2O3/c1-13(2,3)19-12(17)16-10-5-8(14)6-11(18-4)9(10)7-15-16/h5-7H,1-4H3
InChI Key:
GAADFSICYFVBNI-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc2c1cnn2C(=O)OC(C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.027g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.178g/mol
Monoisotopic Mass:
326.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.