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119491-99-5 | Morpholine, 2-(3-chlorophenyl)-4-(1,1-dimethylethyl)-
CAS No: 119491-99-5 Catalog No: AG000IVN MDL No:
Product Description
Catalog Number:
AG000IVN
Chemical Name:
Morpholine, 2-(3-chlorophenyl)-4-(1,1-dimethylethyl)-
CAS Number:
119491-99-5
Molecular Formula:
C14H20ClNO
Molecular Weight:
253.7677
IUPAC Name:
4-tert-butyl-2-(3-chlorophenyl)morpholine
InChI:
InChI=1S/C14H20ClNO/c1-14(2,3)16-7-8-17-13(10-16)11-5-4-6-12(15)9-11/h4-6,9,13H,7-8,10H2,1-3H3
InChI Key:
XNEVATPUJAWEMS-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C1OCCN(C1)C(C)(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.77g/mol
Monoisotopic Mass:
253.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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