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IC87201

CAS No.:
866927-10-8
Catalog Number:
AG00GUB6
Molecular Formula:
C13H10Cl2N4O
Molecular Weight:
309.1507
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
97%
1 week
United States
$237
- +
25mg
97%
1 week
United States
$446
- +
Product Description
Catalog Number:
AG00GUB6
Chemical Name:
IC87201
CAS Number:
866927-10-8
Molecular Formula:
C13H10Cl2N4O
Molecular Weight:
309.1507
MDL Number:
MFCD28160570
IUPAC Name:
2-[(2H-benzotriazol-5-ylamino)methyl]-4,6-dichlorophenol
InChI:
InChI=1S/C13H10Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-5,16,20H,6H2,(H,17,18,19)
InChI Key:
QEHVTUCLCBXQIC-UHFFFAOYSA-N
SMILES:
Clc1cc(CNc2ccc3c(c2)[nH]nn3)c(c(c1)Cl)O
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.023g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
309.15g/mol
Monoisotopic Mass:
308.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Disruption of nNOS-PSD95 protein-protein interaction inhibits acute thermal hyperalgesia and chronic mechanical allodynia in rodents. British journal of pharmacology 20090901
Properties