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1893082-45-5 | Benzenamine, 3-(1,1-difluoropropyl)-
CAS No: 1893082-45-5 Catalog No: AG002I8U MDL No:
Product Description
Catalog Number:
AG002I8U
Chemical Name:
Benzenamine, 3-(1,1-difluoropropyl)-
CAS Number:
1893082-45-5
Molecular Formula:
C9H11F2N
Molecular Weight:
171.1871
IUPAC Name:
3-(1,1-difluoropropyl)aniline
InChI:
InChI=1S/C9H11F2N/c1-2-9(10,11)7-4-3-5-8(12)6-7/h3-6H,2,12H2,1H3
InChI Key:
XDFTVOAEAJGAFJ-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)N)(F)F
Properties
Complexity:
148
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:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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