Home Nitriles Acetonitrile, (4-aminophenoxy)- (9CI)

Acetonitrile, (4-aminophenoxy)- (9CI)

CAS No.:
169286-84-4
Catalog Number:
AG00ATQ8
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00ATQ8
Chemical Name:
Acetonitrile, (4-aminophenoxy)- (9CI)
CAS Number:
169286-84-4
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD06370770
IUPAC Name:
2-(4-aminophenoxy)acetonitrile
InChI:
InChI=1S/C8H8N2O/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,6,10H2
InChI Key:
XYLCZDWOYJRTGC-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)N
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties