Home Other Building Blocks BUTTPARK 120\07-77

BUTTPARK 120\07-77

CAS No.:
189940-04-3
Catalog Number:
AG00AYAD
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
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Product Description
Catalog Number:
AG00AYAD
Chemical Name:
BUTTPARK 120\07-77
CAS Number:
189940-04-3
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
MDL Number:
MFCD02648641
IUPAC Name:
6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H6F3NO2/c10-9(11,12)5-1-2-7-6(3-5)13-8(14)4-15-7/h1-3H,4H2,(H,13,14)
InChI Key:
LRZVYXWBGNCLDB-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)C(F)(F)F
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.147g/mol
Monoisotopic Mass:
217.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties