Home Other Building Blocks 2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine hydrochloride

2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine hydrochloride

CAS No.:
2094147-90-5
Catalog Number:
AG01BIPA
Molecular Formula:
C11H13ClF3NO
Molecular Weight:
267.6752
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Product Description
Catalog Number:
AG01BIPA
Chemical Name:
2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine hydrochloride
CAS Number:
2094147-90-5
Molecular Formula:
C11H13ClF3NO
Molecular Weight:
267.6752
MDL Number:
MFCD30751370
IUPAC Name:
2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydro-1,4-benzoxazine;hydrochloride
InChI:
InChI=1S/C11H12F3NO.ClH/c1-10(2)6-15-8-5-7(11(12,13)14)3-4-9(8)16-10;/h3-5,15H,6H2,1-2H3;1H
InChI Key:
YFZLVRDXUKZZSD-UHFFFAOYSA-N
SMILES:
CC1(C)CNc2c(O1)ccc(c2)C(F)(F)F.Cl
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.676g/mol
Monoisotopic Mass:
267.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties