200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1154882-54-8
1154882-54-8 | 1H-Pyrazole-4-carboxylic acid, 1-[(3-bromophenyl)methyl]-
CAS No: 1154882-54-8 Catalog No: AG000G1F MDL No:
Product Description
Catalog Number:
AG000G1F
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-[(3-bromophenyl)methyl]-
CAS Number:
1154882-54-8
Molecular Formula:
C11H9BrN2O2
Molecular Weight:
281.1054
IUPAC Name:
1-[(3-bromophenyl)methyl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H9BrN2O2/c12-10-3-1-2-8(4-10)6-14-7-9(5-13-14)11(15)16/h1-5,7H,6H2,(H,15,16)
InChI Key:
PHIKZQZADWDNII-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)Cn1ncc(c1)C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.109g/mol
Monoisotopic Mass:
279.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.