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2075-45-8 | 1H-Pyrazole, 4-bromo-
CAS No: 2075-45-8 Catalog No: AG002J3M MDL No:MFCD00075602
Product Description
Catalog Number:
AG002J3M
Chemical Name:
1H-Pyrazole, 4-bromo-
CAS Number:
2075-45-8
Molecular Formula:
C3H3BrN2
Molecular Weight:
146.9733
MDL Number:
MFCD00075602
IUPAC Name:
4-bromo-1H-pyrazole
InChI:
InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChI Key:
WVGCPEDBFHEHEZ-UHFFFAOYSA-N
SMILES:
Brc1c[nH]nc1
NSC Number:
522023
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.948g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.975g/mol
Monoisotopic Mass:
145.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Kinetic and thermodynamic analysis for lipase-catalyzed hydrolytic resolution of (R,S)-alcohols though their azolyl carbamates. | Bioprocess and biosystems engineering 20120801 |
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