Home Nitriles [(4-methoxyphenyl)amino]carbonitrile

[(4-methoxyphenyl)amino]carbonitrile

CAS No.:
13519-16-9
Catalog Number:
AG01BH5Q
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
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Product Description
Catalog Number:
AG01BH5Q
Chemical Name:
[(4-methoxyphenyl)amino]carbonitrile
CAS Number:
13519-16-9
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD09035203
IUPAC Name:
(4-methoxyphenyl)cyanamide
InChI:
InChI=1S/C8H8N2O/c1-11-8-4-2-7(3-5-8)10-6-9/h2-5,10H,1H3
InChI Key:
QQESBGXIUZCUIM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC#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:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties