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88202-92-0 | 3H-Pyrazole-5-carboxylic acid, 2-bromoethyl ester
CAS No: 88202-92-0 Catalog No: AG004C7R MDL No:
Product Description
Catalog Number:
AG004C7R
Chemical Name:
3H-Pyrazole-5-carboxylic acid, 2-bromoethyl ester
CAS Number:
88202-92-0
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
IUPAC Name:
2-bromoethyl 3H-pyrazole-5-carboxylate
InChI:
InChI=1S/C6H7BrN2O2/c7-2-4-11-6(10)5-1-3-8-9-5/h1H,2-4H2
InChI Key:
SZESTCXFDBNAGI-UHFFFAOYSA-N
SMILES:
BrCCOC(=O)C1=CCN=N1
Properties
Complexity:
213
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.038g/mol
Monoisotopic Mass:
217.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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