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1179741-99-1

1179741-99-1 | 3-Fluoro-N1-(3-methoxypropyl)benzene-1,2-diamine

CAS No: 1179741-99-1 Catalog No: AG01F9FS MDL No:

Product Description

Catalog Number:
AG01F9FS
Chemical Name:
3-Fluoro-N1-(3-methoxypropyl)benzene-1,2-diamine
CAS Number:
1179741-99-1
Molecular Formula:
C10H15FN2O
Molecular Weight:
198.2373
IUPAC Name:
3-fluoro-1-N-(3-methoxypropyl)benzene-1,2-diamine
InChI:
InChI=1S/C10H15FN2O/c1-14-7-3-6-13-9-5-2-4-8(11)10(9)12/h2,4-5,13H,3,6-7,12H2,1H3
InChI Key:
ROADEWYUQIGXHX-UHFFFAOYSA-N
SMILES:
COCCCNc1cccc(c1N)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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