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1171628-53-7 | Benzenecarboximidamide, 2-chloro-5-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1171628-53-7 Catalog No: AG000DU5 MDL No:MFCD04114450
Product Description
Catalog Number:
AG000DU5
Chemical Name:
Benzenecarboximidamide, 2-chloro-5-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1171628-53-7
Molecular Formula:
C8H7Cl2F3N2
Molecular Weight:
259.0558
MDL Number:
MFCD04114450
IUPAC Name:
2-chloro-5-(trifluoromethyl)benzenecarboximidamide;hydrochloride
InChI:
InChI=1S/C8H6ClF3N2.ClH/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14;/h1-3H,(H3,13,14);1H
InChI Key:
VCBLSUYADFBFER-UHFFFAOYSA-N
SMILES:
NC(=N)c1cc(ccc1Cl)C(F)(F)F.Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.053g/mol
Monoisotopic Mass:
257.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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