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1152832-76-2 | Benzenemethanamine, N-ethyl-2,3-difluoro-
CAS No: 1152832-76-2 Catalog No: AG000GJI MDL No:MFCD12147622
Product Description
Catalog Number:
AG000GJI
Chemical Name:
Benzenemethanamine, N-ethyl-2,3-difluoro-
CAS Number:
1152832-76-2
Molecular Formula:
C9H11F2N
Molecular Weight:
171.1871
MDL Number:
MFCD12147622
IUPAC Name:
N-[(2,3-difluorophenyl)methyl]ethanamine
InChI:
InChI=1S/C9H11F2N/c1-2-12-6-7-4-3-5-8(10)9(7)11/h3-5,12H,2,6H2,1H3
InChI Key:
NGXWXGQLUPFRHH-UHFFFAOYSA-N
SMILES:
CCNCc1cccc(c1F)F
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.086g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.191g/mol
Monoisotopic Mass:
171.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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