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Home Halogens 1-benzyl-4-bromo-1H-pyrazol-5-ol

1-benzyl-4-bromo-1H-pyrazol-5-ol

CAS No.:
1881321-67-0
Catalog Number:
AG00I2EC
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$400
- +
5g
96%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG00I2EC
Chemical Name:
1-benzyl-4-bromo-1H-pyrazol-5-ol
CAS Number:
1881321-67-0
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
MDL Number:
MFCD29044596
IUPAC Name:
2-benzyl-4-bromo-1H-pyrazol-3-one
InChI:
InChI=1S/C10H9BrN2O/c11-9-6-12-13(10(9)14)7-8-4-2-1-3-5-8/h1-6,12H,7H2
InChI Key:
CAAQOPUQNJFLGK-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1O)Cc1ccccc1
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.99g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties