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Home Nitriles 7-Bromo-1H-1,2,3-benzotriazole-5-carbonitrile

7-Bromo-1H-1,2,3-benzotriazole-5-carbonitrile

CAS No.:
1423037-37-9
Catalog Number:
AG009WVQ
Molecular Formula:
C7H3BrN4
Molecular Weight:
223.0295
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$313
- +
5g
98%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG009WVQ
Chemical Name:
7-Bromo-1H-1,2,3-benzotriazole-5-carbonitrile
CAS Number:
1423037-37-9
Molecular Formula:
C7H3BrN4
Molecular Weight:
223.0295
MDL Number:
MFCD23135963
IUPAC Name:
7-bromo-2H-benzotriazole-5-carbonitrile
InChI:
InChI=1S/C7H3BrN4/c8-5-1-4(3-9)2-6-7(5)11-12-10-6/h1-2H,(H,10,11,12)
InChI Key:
LZVSVULXMSHKGN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c2c(c1)nn[nH]2
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.954g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.033g/mol
Monoisotopic Mass:
221.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties