Home Halogens 1-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol

1-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol

CAS No.:
1008510-87-9
Catalog Number:
AG01B4TW
Molecular Formula:
C7H11BrN2O
Molecular Weight:
219.0790
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Product Description
Catalog Number:
AG01B4TW
Chemical Name:
1-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CAS Number:
1008510-87-9
Molecular Formula:
C7H11BrN2O
Molecular Weight:
219.0790
MDL Number:
MFCD12779230
IUPAC Name:
1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol
InChI:
InChI=1S/C7H11BrN2O/c1-7(2,11)5-10-4-6(8)3-9-10/h3-4,11H,5H2,1-2H3
InChI Key:
IOUKCMFUEJBHER-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1)Br)(O)C
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.005g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.082g/mol
Monoisotopic Mass:
218.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties