Home Carboxys 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid hydrochloride

2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid hydrochloride

CAS No.:
1384707-94-1
Catalog Number:
AG019ZP0
Molecular Formula:
C11H12ClF3N2O2
Molecular Weight:
296.6734
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Product Description
Catalog Number:
AG019ZP0
Chemical Name:
2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid hydrochloride
CAS Number:
1384707-94-1
Molecular Formula:
C11H12ClF3N2O2
Molecular Weight:
296.6734
MDL Number:
MFCD22375285
IUPAC Name:
2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H11F3N2O2.ClH/c1-5-15-8-3-2-6(10(17)18)4-7(8)9(16-5)11(12,13)14;/h6H,2-4H2,1H3,(H,17,18);1H
InChI Key:
AQFMIHXKUJNSPE-UHFFFAOYSA-N
SMILES:
Cc1nc2CCC(Cc2c(n1)C(F)(F)F)C(=O)O.Cl
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.054g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
296.674g/mol
Monoisotopic Mass:
296.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties