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24609-74-3 | 1H-Naphth[1,2-e][1,3]oxazine, 3α-(3,4-dichlorophenyl)-2,3-dihydro-1α-phenyl- (8CI)
CAS No: 24609-74-3 Catalog No: AG002OQW MDL No:
Product Description
Catalog Number:
AG002OQW
Chemical Name:
1H-Naphth[1,2-e][1,3]oxazine, 3α-(3,4-dichlorophenyl)-2,3-dihydro-1α-phenyl- (8CI)
CAS Number:
24609-74-3
Molecular Formula:
C24H17Cl2NO
Molecular Weight:
406.3039
IUPAC Name:
3-(3,4-dichlorophenyl)-1-phenyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazine
InChI:
InChI=1S/C24H17Cl2NO/c25-19-12-10-17(14-20(19)26)24-27-23(16-7-2-1-3-8-16)22-18-9-5-4-6-15(18)11-13-21(22)28-24/h1-14,23-24,27H
InChI Key:
PKYMTSJXAMCLLY-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1Cl)C1Oc2ccc3c(c2C(N1)c1ccccc1)cccc3
NSC Number:
135847
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.069g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.306g/mol
Monoisotopic Mass:
405.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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