Home Halogens (4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)methanol

(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)methanol

CAS No.:
1073067-93-2
Catalog Number:
AG01BXND
Molecular Formula:
C6H9BrN2O
Molecular Weight:
205.0525
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Product Description
Catalog Number:
AG01BXND
Chemical Name:
(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)methanol
CAS Number:
1073067-93-2
Molecular Formula:
C6H9BrN2O
Molecular Weight:
205.0525
MDL Number:
MFCD30497696
IUPAC Name:
(4-bromo-1,5-dimethylpyrazol-3-yl)methanol
InChI:
InChI=1S/C6H9BrN2O/c1-4-6(7)5(3-10)8-9(4)2/h10H,3H2,1-2H3
InChI Key:
XSECUJSMUXCNJW-UHFFFAOYSA-N
SMILES:
OCc1nn(c(c1Br)C)C
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.99g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.055g/mol
Monoisotopic Mass:
203.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties