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Home Halogens 1-Benzotriazol-1-yl-3-chloropropan-2-one

1-Benzotriazol-1-yl-3-chloropropan-2-one

CAS No.:
305851-04-1
Catalog Number:
AG00BX2U
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$113
- +
5g
96%
In Stock USA
United States
$400
- +
10g
96%
In Stock USA
United States
$750
- +
25g
96%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00BX2U
Chemical Name:
1-Benzotriazol-1-yl-3-chloropropan-2-one
CAS Number:
305851-04-1
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
MDL Number:
MFCD01823137
IUPAC Name:
1-(benzotriazol-1-yl)-3-chloropropan-2-one
InChI:
InChI=1S/C9H8ClN3O/c10-5-7(14)6-13-9-4-2-1-3-8(9)11-12-13/h1-4H,5-6H2
InChI Key:
INRLHOWDOGFXJJ-UHFFFAOYSA-N
SMILES:
ClCC(=O)Cn1nnc2c1cccc2
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.633g/mol
Monoisotopic Mass:
209.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties