Home Halogens 3-Amino-4-bromo-5-phenylpyrazole

3-Amino-4-bromo-5-phenylpyrazole

CAS No.:
2845-78-5
Catalog Number:
AG003KYM
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$377
- +
5g
97%
1 week
United States
$888
- +
Product Description
Catalog Number:
AG003KYM
Chemical Name:
3-Amino-4-bromo-5-phenylpyrazole
CAS Number:
2845-78-5
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
MDL Number:
MFCD00067992
IUPAC Name:
4-bromo-5-phenyl-1H-pyrazol-3-amine
InChI:
InChI=1S/C9H8BrN3/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13)
InChI Key:
QTNVXMOPTHGCII-UHFFFAOYSA-N
SMILES:
Brc1c(N)[nH]nc1c1ccccc1
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.088g/mol
Monoisotopic Mass:
236.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties