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175137-54-9 | 1H-Pyrazole-1-acetic acid, 4-bromo-3,5-dimethyl-, ethyl ester
CAS No: 175137-54-9 Catalog No: AG0020BH MDL No:MFCD00052541
Product Description
Catalog Number:
AG0020BH
Chemical Name:
1H-Pyrazole-1-acetic acid, 4-bromo-3,5-dimethyl-, ethyl ester
CAS Number:
175137-54-9
Molecular Formula:
C9H13BrN2O2
Molecular Weight:
261.1157
MDL Number:
MFCD00052541
IUPAC Name:
ethyl 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetate
InChI:
InChI=1S/C9H13BrN2O2/c1-4-14-8(13)5-12-7(3)9(10)6(2)11-12/h4-5H2,1-3H3
InChI Key:
YWDSLMPDMFFYNV-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1nc(c(c1C)Br)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.016g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.119g/mol
Monoisotopic Mass:
260.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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