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Home Halogens 2-(5-chloro-1H-1,3-benzodiazol-2-yl)ethanamine

2-(5-chloro-1H-1,3-benzodiazol-2-yl)ethanamine

CAS No.:
135875-16-0
Catalog Number:
AG009AZN
Molecular Formula:
C9H10ClN3
Molecular Weight:
195.6488
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$48
- +
1g
95%
In Stock USA
United States
$95
- +
5g
95%
In Stock USA
United States
$284
- +
Product Description
Catalog Number:
AG009AZN
Chemical Name:
2-(5-chloro-1H-1,3-benzodiazol-2-yl)ethanamine
CAS Number:
135875-16-0
Molecular Formula:
C9H10ClN3
Molecular Weight:
195.6488
MDL Number:
MFCD02255631
IUPAC Name:
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine
InChI:
InChI=1S/C9H10ClN3/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3-4,11H2,(H,12,13)
InChI Key:
WKDCEGOIWKEIGY-UHFFFAOYSA-N
SMILES:
NCCc1nc2c([nH]1)ccc(c2)Cl
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.65g/mol
Monoisotopic Mass:
195.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties