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1341489-02-8 | N-(3-Chlorobenzyl)oxetan-3-amine
CAS No: 1341489-02-8 Catalog No: AG01FENC MDL No:
Product Description
Catalog Number:
AG01FENC
Chemical Name:
N-(3-Chlorobenzyl)oxetan-3-amine
CAS Number:
1341489-02-8
Molecular Formula:
C10H12ClNO
Molecular Weight:
197.6614
IUPAC Name:
N-[(3-chlorophenyl)methyl]oxetan-3-amine
InChI:
InChI=1S/C10H12ClNO/c11-9-3-1-2-8(4-9)5-12-10-6-13-7-10/h1-4,10,12H,5-7H2
InChI Key:
XKIMDEJZNJMZLI-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)CNC1COC1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.662g/mol
Monoisotopic Mass:
197.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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