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81190-89-8 | Methyl 4-bromo-1H-pyrazole-3-carboxylate
CAS No: 81190-89-8 Catalog No: AG001UKY MDL No:MFCD00466326
Product Description
Catalog Number:
AG001UKY
Chemical Name:
Methyl 4-bromo-1H-pyrazole-3-carboxylate
CAS Number:
81190-89-8
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD00466326
IUPAC Name:
methyl 4-bromo-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C5H5BrN2O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,1H3,(H,7,8)
InChI Key:
KWQDACZQHJCUNK-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]cc1Br
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.953g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.011g/mol
Monoisotopic Mass:
203.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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