sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile

3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile

CAS No.:
330792-70-6
Catalog Number:
AG00I6DP
Molecular Formula:
C16H12N4O
Molecular Weight:
276.2927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$221
- +
1g
95%
1 week
United States
$496
- +
5g
95%
1 week
United States
$1413
- +
Product Description
Catalog Number:
AG00I6DP
Chemical Name:
3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile
CAS Number:
330792-70-6
Molecular Formula:
C16H12N4O
Molecular Weight:
276.2927
MDL Number:
MFCD20270361
IUPAC Name:
3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20)
InChI Key:
HNIMEQCLCNSCGH-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)n[nH]c1c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.101g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.299g/mol
Monoisotopic Mass:
276.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties