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1408058-12-7 | Benzenecarboximidamide, 4-methoxy-2-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1408058-12-7 Catalog No: AG001CSD MDL No:MFCD22574993
Product Description
Catalog Number:
AG001CSD
Chemical Name:
Benzenecarboximidamide, 4-methoxy-2-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1408058-12-7
Molecular Formula:
C9H10ClF3N2O
Molecular Weight:
254.6367
MDL Number:
MFCD22574993
IUPAC Name:
4-methoxy-2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
InChI:
InChI=1S/C9H9F3N2O.ClH/c1-15-5-2-3-6(8(13)14)7(4-5)9(10,11)12;/h2-4H,1H3,(H3,13,14);1H
InChI Key:
MKKANNUUIQNCIH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(F)(F)F)C(=N)N.Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.637g/mol
Monoisotopic Mass:
254.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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