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1256353-07-7 | Benzenemethanamine, 3-(difluoromethyl)-, hydrochloride (1:1)
CAS No: 1256353-07-7 Catalog No: AG000O1W MDL No:MFCD19689540
Product Description
Catalog Number:
AG000O1W
Chemical Name:
Benzenemethanamine, 3-(difluoromethyl)-, hydrochloride (1:1)
CAS Number:
1256353-07-7
Molecular Formula:
C8H10ClF2N
Molecular Weight:
193.6215
MDL Number:
MFCD19689540
IUPAC Name:
[3-(difluoromethyl)phenyl]methanamine;hydrochloride
InChI:
InChI=1S/C8H9F2N.ClH/c9-8(10)7-3-1-2-6(4-7)5-11;/h1-4,8H,5,11H2;1H
InChI Key:
UJLCUNLIQPWOCA-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)C(F)F.Cl
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.622g/mol
Monoisotopic Mass:
193.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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