200,000+ products from a single source!

sales@angenechem.com

Home > Carboxes > 1001907-23-8

1001907-23-8

1001907-23-8 | 1H-Indazole-1-carboxylic acid, 5-iodo-, 1,1-dimethylethyl ester

CAS No: 1001907-23-8 Catalog No: AG00016O MDL No:MFCD12408346

Product Description

Catalog Number:
AG00016O
Chemical Name:
1H-Indazole-1-carboxylic acid, 5-iodo-, 1,1-dimethylethyl ester
CAS Number:
1001907-23-8
Molecular Formula:
C12H13IN2O2
Molecular Weight:
344.1483
MDL Number:
MFCD12408346
IUPAC Name:
tert-butyl 5-iodoindazole-1-carboxylate
InChI:
InChI=1S/C12H13IN2O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,1-3H3
InChI Key:
PRGYWDOFNCWPOB-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)cnn2C(=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:
344.002g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.152g/mol
Monoisotopic Mass:
344.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

© 2019 Angene International Limited. All rights Reserved.