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Home > Bromides > 1328893-16-8
1328893-16-8 | 1H-Pyrazole-3-carboxylic acid, 5-bromo-
CAS No: 1328893-16-8 Catalog No: AG0011BO MDL No:MFCD21605341
Product Description
Catalog Number:
AG0011BO
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-bromo-
CAS Number:
1328893-16-8
Molecular Formula:
C4H3BrN2O2
Molecular Weight:
190.9828
MDL Number:
MFCD21605341
IUPAC Name:
5-bromo-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C4H3BrN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChI Key:
OOKGNGYUNBYGEL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc([nH]n1)Br
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.938g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.984g/mol
Monoisotopic Mass:
189.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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