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Home Halogens 1-Benzyl-4-bromo-1H-pyrazole

1-Benzyl-4-bromo-1H-pyrazole

CAS No.:
50877-41-3
Catalog Number:
AG00DACS
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$38
- +
10g
96%
In Stock USA
United States
$69
- +
25g
96%
In Stock USA
United States
$138
- +
100g
96%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00DACS
Chemical Name:
1-Benzyl-4-bromo-1H-pyrazole
CAS Number:
50877-41-3
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
MDL Number:
MFCD02179566
IUPAC Name:
1-benzyl-4-bromopyrazole
InChI:
InChI=1S/C10H9BrN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChI Key:
QKTAXFTZNKXHMW-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)Cc1ccccc1
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.995g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.1g/mol
Monoisotopic Mass:
235.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties