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13213-86-0 | 2H-3,1-Benzoxazin-2-one, 6-chloro-1,4-dihydro-4-phenyl-
CAS No: 13213-86-0 Catalog No: AG00109T MDL No:
Product Description
Catalog Number:
AG00109T
Chemical Name:
2H-3,1-Benzoxazin-2-one, 6-chloro-1,4-dihydro-4-phenyl-
CAS Number:
13213-86-0
Molecular Formula:
C14H10ClNO2
Molecular Weight:
259.6877
IUPAC Name:
6-chloro-4-phenyl-1,4-dihydro-3,1-benzoxazin-2-one
InChI:
InChI=1S/C14H10ClNO2/c15-10-6-7-12-11(8-10)13(18-14(17)16-12)9-4-2-1-3-5-9/h1-8,13H,(H,16,17)
InChI Key:
ZJXNRMOZDFCTMK-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccc(cc2C(O1)c1ccccc1)Cl
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.689g/mol
Monoisotopic Mass:
259.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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