Home Nitriles 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile

2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile

CAS No.:
565237-26-5
Catalog Number:
AG01A026
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A026
Chemical Name:
2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile
CAS Number:
565237-26-5
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD22375414
IUPAC Name:
2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile
InChI:
InChI=1S/C10H9N3O/c1-13(2)10-12-8-5-7(6-11)3-4-9(8)14-10/h3-5H,1-2H3
InChI Key:
VHWXSIMZUPEVKQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc(o2)N(C)C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties