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1240278-21-0 | 1H-Pyrazole-3-carboxylic acid, 4-bromo-5-(trifluoromethyl)-, ethyl ester
CAS No: 1240278-21-0 Catalog No: AG000LF0 MDL No:MFCD13193102
Product Description
Catalog Number:
AG000LF0
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-bromo-5-(trifluoromethyl)-, ethyl ester
CAS Number:
1240278-21-0
Molecular Formula:
C7H6BrF3N2O2
Molecular Weight:
287.0339
MDL Number:
MFCD13193102
IUPAC Name:
ethyl 4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C7H6BrF3N2O2/c1-2-15-6(14)4-3(8)5(13-12-4)7(9,10)11/h2H2,1H3,(H,12,13)
InChI Key:
OVIHBAGNAYIHMQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1Br)C(F)(F)F
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.956g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.036g/mol
Monoisotopic Mass:
285.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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