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Home Nitriles 7-Chloro-1H-benzo[d]imidazole-5-carbonitrile

7-Chloro-1H-benzo[d]imidazole-5-carbonitrile

CAS No.:
1360969-13-6
Catalog Number:
AG00HUGV
Molecular Formula:
C8H4ClN3
Molecular Weight:
177.5905
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00HUGV
Chemical Name:
7-Chloro-1H-benzo[d]imidazole-5-carbonitrile
CAS Number:
1360969-13-6
Molecular Formula:
C8H4ClN3
Molecular Weight:
177.5905
MDL Number:
MFCD28096660
IUPAC Name:
7-chloro-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C8H4ClN3/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-2,4H,(H,11,12)
InChI Key:
XDBAUPGJYPQTAW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c2c(c1)nc[nH]2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.591g/mol
Monoisotopic Mass:
177.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties