Home Nitriles 3-amino-4-(difluoromethoxy)benzonitrile

3-amino-4-(difluoromethoxy)benzonitrile

CAS No.:
1211578-67-4
Catalog Number:
AG00A2AJ
Molecular Formula:
C8H6F2N2O
Molecular Weight:
184.1428
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Product Description
Catalog Number:
AG00A2AJ
Chemical Name:
3-amino-4-(difluoromethoxy)benzonitrile
CAS Number:
1211578-67-4
Molecular Formula:
C8H6F2N2O
Molecular Weight:
184.1428
MDL Number:
MFCD11847327
IUPAC Name:
3-amino-4-(difluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H6F2N2O/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-3,8H,12H2
InChI Key:
JBQCKWIKOZPSOD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)OC(F)F
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.146g/mol
Monoisotopic Mass:
184.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties