Home Other Building Blocks [3-(trifluoromethyl)phenyl]methylcyanamide

[3-(trifluoromethyl)phenyl]methylcyanamide

CAS No.:
1249297-20-8
Catalog Number:
AG01DV3Z
Molecular Formula:
C9H7F3N2
Molecular Weight:
200.1605
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Product Description
Catalog Number:
AG01DV3Z
Chemical Name:
[3-(trifluoromethyl)phenyl]methylcyanamide
CAS Number:
1249297-20-8
Molecular Formula:
C9H7F3N2
Molecular Weight:
200.1605
MDL Number:
MFCD16767935
IUPAC Name:
[3-(trifluoromethyl)phenyl]methylcyanamide
InChI:
InChI=1S/C9H7F3N2/c10-9(11,12)8-3-1-2-7(4-8)5-14-6-13/h1-4,14H,5H2
InChI Key:
LPIBGMHJSBMGKE-UHFFFAOYSA-N
SMILES:
N#CNCc1cccc(c1)C(F)(F)F
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.164g/mol
Monoisotopic Mass:
200.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties