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1094299-29-2 | 4-Fluoro-N1-(3-methoxypropyl)benzene-1,2-diamine
CAS No: 1094299-29-2 Catalog No: AG01F9FB MDL No:
Product Description
Catalog Number:
AG01F9FB
Chemical Name:
4-Fluoro-N1-(3-methoxypropyl)benzene-1,2-diamine
CAS Number:
1094299-29-2
Molecular Formula:
C10H15FN2O
Molecular Weight:
198.2373
IUPAC Name:
4-fluoro-1-N-(3-methoxypropyl)benzene-1,2-diamine
InChI:
InChI=1S/C10H15FN2O/c1-14-6-2-5-13-10-4-3-8(11)7-9(10)12/h3-4,7,13H,2,5-6,12H2,1H3
InChI Key:
GEURHMYVPYNYRQ-UHFFFAOYSA-N
SMILES:
COCCCNc1ccc(cc1N)F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.117g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.241g/mol
Monoisotopic Mass:
198.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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