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1784095-49-3 | 5-bromo-3-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid
CAS No: 1784095-49-3 Catalog No: AG01ELAN MDL No:
Product Description
Catalog Number:
AG01ELAN
Chemical Name:
5-bromo-3-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1784095-49-3
Molecular Formula:
C6H7BrN2O3
Molecular Weight:
235.0354
IUPAC Name:
5-bromo-3-methoxy-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H7BrN2O3/c1-9-4(7)3(6(10)11)5(8-9)12-2/h1-2H3,(H,10,11)
InChI Key:
HLVITVHVNZZHDO-UHFFFAOYSA-N
SMILES:
COc1nn(c(c1C(=O)O)Br)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.037g/mol
Monoisotopic Mass:
233.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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