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Home > Bromides > 1886994-07-5
1886994-07-5 | 1H-Pyrazole-5-carboxylic acid, 3-bromo-, ethyl ester
CAS No: 1886994-07-5 Catalog No: AG002H5J MDL No:MFCD20275526
Product Description
Catalog Number:
AG002H5J
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-bromo-, ethyl ester
CAS Number:
1886994-07-5
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
MDL Number:
MFCD20275526
IUPAC Name:
ethyl 5-bromo-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H,8,9)
InChI Key:
WTWIBLHEPZYWRK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(n[nH]1)Br
Properties
Complexity:
154
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:
1
Isotope Atom Count:
0
Molecular Weight:
219.038g/mol
Monoisotopic Mass:
217.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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