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Home > Bromides > 1257861-04-3
1257861-04-3 | 1H-Pyrazole-3-carboxylic acid, 5-bromo-4-methyl-, ethyl ester
CAS No: 1257861-04-3 Catalog No: AG000OQR MDL No:MFCD20921911
Product Description
Catalog Number:
AG000OQR
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-bromo-4-methyl-, ethyl ester
CAS Number:
1257861-04-3
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
MDL Number:
MFCD20921911
IUPAC Name:
ethyl 5-bromo-4-methyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C7H9BrN2O2/c1-3-12-7(11)5-4(2)6(8)10-9-5/h3H2,1-2H3,(H,9,10)
InChI Key:
NTESQBJRJKBHKE-UHFFFAOYSA-N
SMILES:
Cc1c(n[nH]c1Br)C(=O)OCC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.065g/mol
Monoisotopic Mass:
231.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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