Home Other Building Blocks 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine

3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine

CAS No.:
449-85-4
Catalog Number:
AG01DWFW
Molecular Formula:
C10H10F3NO
Molecular Weight:
217.1877
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Product Description
Catalog Number:
AG01DWFW
Chemical Name:
3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine
CAS Number:
449-85-4
Molecular Formula:
C10H10F3NO
Molecular Weight:
217.1877
MDL Number:
MFCD19375885
IUPAC Name:
3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
InChI:
InChI=1S/C10H10F3NO/c1-6-5-15-9-3-2-7(10(11,12)13)4-8(9)14-6/h2-4,6,14H,5H2,1H3
InChI Key:
WABCIIFXOCZRCM-UHFFFAOYSA-N
SMILES:
CC1COc2c(N1)cc(cc2)C(F)(F)F
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.071g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.191g/mol
Monoisotopic Mass:
217.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties