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Home > Bromides > 1222174-92-6
1222174-92-6 | 1H-Pyrazole-3-carboxylic acid, 5-bromo-1-methyl-, methyl ester
CAS No: 1222174-92-6 Catalog No: AG0016XR MDL No:MFCD22373310
Product Description
Catalog Number:
AG0016XR
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-bromo-1-methyl-, methyl ester
CAS Number:
1222174-92-6
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
MDL Number:
MFCD22373310
IUPAC Name:
methyl 5-bromo-1-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C6H7BrN2O2/c1-9-5(7)3-4(8-9)6(10)11-2/h3H,1-2H3
InChI Key:
FCRCTHGEYAIIIU-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c(c1)Br)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.969g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.038g/mol
Monoisotopic Mass:
217.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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