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Home Other Building Blocks 4-(Cyanomethyl)-2h-1,4-benzoxazin-3(4h)-one

4-(Cyanomethyl)-2h-1,4-benzoxazin-3(4h)-one

CAS No.:
115615-02-6
Catalog Number:
AG000G9E
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$113
- +
250mg
98%
In Stock USA
United States
$138
- +
1g
98%
In Stock USA
United States
$438
- +
5g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG000G9E
Chemical Name:
4-(Cyanomethyl)-2h-1,4-benzoxazin-3(4h)-one
CAS Number:
115615-02-6
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00268751
IUPAC Name:
2-(3-oxo-1,4-benzoxazin-4-yl)acetonitrile
InChI:
InChI=1S/C10H8N2O2/c11-5-6-12-8-3-1-2-4-9(8)14-7-10(12)13/h1-4H,6-7H2
InChI Key:
GIAYQAAXNNMIET-UHFFFAOYSA-N
SMILES:
N#CCN1C(=O)COc2c1cccc2
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties