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116753-50-5 | 1-Propanamine, 3-(3-chlorophenoxy)-
CAS No: 116753-50-5 Catalog No: AG000D6V MDL No:MFCD06800437
Product Description
Catalog Number:
AG000D6V
Chemical Name:
1-Propanamine, 3-(3-chlorophenoxy)-
CAS Number:
116753-50-5
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
MDL Number:
MFCD06800437
IUPAC Name:
3-(3-chlorophenoxy)propan-1-amine
InChI:
InChI=1S/C9H12ClNO/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7H,2,5-6,11H2
InChI Key:
KZQPDVZJHZMSKO-UHFFFAOYSA-N
SMILES:
NCCCOc1cccc(c1)Cl
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.651g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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