Home Halogens 4-bromo-1,3-dimethyl-1H-pyrazol-5-ol

4-bromo-1,3-dimethyl-1H-pyrazol-5-ol

CAS No.:
1535968-74-1
Catalog Number:
AG01ALTN
Molecular Formula:
C5H7BrN2O
Molecular Weight:
191.0259
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Product Description
Catalog Number:
AG01ALTN
Chemical Name:
4-bromo-1,3-dimethyl-1H-pyrazol-5-ol
CAS Number:
1535968-74-1
Molecular Formula:
C5H7BrN2O
Molecular Weight:
191.0259
IUPAC Name:
4-bromo-2,5-dimethyl-1H-pyrazol-3-one
InChI:
InChI=1S/C5H7BrN2O/c1-3-4(6)5(9)8(2)7-3/h7H,1-2H3
InChI Key:
YLKIBPZYSQAPTH-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1Br)O)C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.974g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.028g/mol
Monoisotopic Mass:
189.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties