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1064721-11-4

1064721-11-4 | 7-Bromo-1H-benzotriazole

CAS No: 1064721-11-4 Catalog No: AG0037ZN MDL No:MFCD11226749

Product Description

Catalog Number:
AG0037ZN
Chemical Name:
7-Bromo-1H-benzotriazole
CAS Number:
1064721-11-4
Molecular Formula:
C6H4BrN3
Molecular Weight:
198.0201
MDL Number:
MFCD11226749
IUPAC Name:
4-bromo-2H-benzotriazole
InChI:
InChI=1S/C6H4BrN3/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,8,9,10)
InChI Key:
DNJANJSHTMOQOV-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1[nH]nn2

Properties

Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.959g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.023g/mol
Monoisotopic Mass:
196.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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