C1=CC=C(C(=C1)N)OCCCCl
CAS: 151719-71-0
Name: 2-(3-chloropropoxy)aniline
SMILES: C1=CC=C(C(=C1)N)OCCCCl

Molecular Processing

Molecular formula
C9H12ClNO
Molecular weight
185.65
Exact mass
185.0607
XLogP
2.28
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
51.69

Supplementary Information

InChIKey: VUMBHSVJQOBHGX-UHFFFAOYSA-N
Synonyme
2-(3-chloropropoxy)aniline2-(3-Chloro-propoxy)aniline151719-71-02-(3 chloropropoxy) aniline2-(3-chloropropoxy) anilineSCHEMBL1545342DTXSID00434109VUMBHSVJQOBHGX-UHFFFAOYSA-N2-(3-Chloro-propoxy)-phenylamineAKOS006330360
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