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189068-62-0 | 2H-1,3-Benzoxazine, 3,4-dihydro-3,6-diphenyl-
CAS No: 189068-62-0 Catalog No: AG002HTB MDL No:
Product Description
Catalog Number:
AG002HTB
Chemical Name:
2H-1,3-Benzoxazine, 3,4-dihydro-3,6-diphenyl-
CAS Number:
189068-62-0
Molecular Formula:
C20H17NO
Molecular Weight:
287.3551
IUPAC Name:
3,6-diphenyl-2,4-dihydro-1,3-benzoxazine
InChI:
InChI=1S/C20H17NO/c1-3-7-16(8-4-1)17-11-12-20-18(13-17)14-21(15-22-20)19-9-5-2-6-10-19/h1-13H,14-15H2
InChI Key:
FXXHJDPGDLHJAQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1COc2c(C1)cc(cc2)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.362g/mol
Monoisotopic Mass:
287.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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