Home Halogens 4-bromo-5-(hydroxymethyl)-2-methylpyrazole-3-carbonitrile

4-bromo-5-(hydroxymethyl)-2-methylpyrazole-3-carbonitrile

CAS No.:
1454848-83-9
Catalog Number:
AG01DK28
Molecular Formula:
C6H6BrN3O
Molecular Weight:
216.0353
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Product Description
Catalog Number:
AG01DK28
Chemical Name:
4-bromo-5-(hydroxymethyl)-2-methylpyrazole-3-carbonitrile
CAS Number:
1454848-83-9
Molecular Formula:
C6H6BrN3O
Molecular Weight:
216.0353
MDL Number:
MFCD29917008
IUPAC Name:
4-bromo-5-(hydroxymethyl)-2-methylpyrazole-3-carbonitrile
InChI:
InChI=1S/C6H6BrN3O/c1-10-5(2-8)6(7)4(3-11)9-10/h11H,3H2,1H3
InChI Key:
JAEKSCSIHVOTIJ-UHFFFAOYSA-N
SMILES:
OCc1nn(c(c1Br)C#N)C
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.969g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.038g/mol
Monoisotopic Mass:
214.969g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties