200,000+ products from a single source!
sales@angenechem.com
1800488-76-9 | 3-iodo-4-(1H-pyrazol-1-yl)benzoic acid
CAS No: 1800488-76-9 Catalog No: AG01DJRZ MDL No:
Product Description
Catalog Number:
AG01DJRZ
Chemical Name:
3-iodo-4-(1H-pyrazol-1-yl)benzoic acid
CAS Number:
1800488-76-9
Molecular Formula:
C10H7IN2O2
Molecular Weight:
314.0792
IUPAC Name:
3-iodo-4-pyrazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H7IN2O2/c11-8-6-7(10(14)15)2-3-9(8)13-5-1-4-12-13/h1-6H,(H,14,15)
InChI Key:
YVUNWFPMFNIHQC-UHFFFAOYSA-N
SMILES:
Ic1cc(ccc1n1cccn1)C(=O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.082g/mol
Monoisotopic Mass:
313.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.