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100742-56-1 | 2(3H)-Benzoxazolone, 3-acetyl-6-(4-chlorobenzoyl)-
CAS No: 100742-56-1 Catalog No: AG0002R0 MDL No:
Product Description
Catalog Number:
AG0002R0
Chemical Name:
2(3H)-Benzoxazolone, 3-acetyl-6-(4-chlorobenzoyl)-
CAS Number:
100742-56-1
Molecular Formula:
C16H10ClNO4
Molecular Weight:
315.7079
IUPAC Name:
3-acetyl-6-(4-chlorobenzoyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C16H10ClNO4/c1-9(19)18-13-7-4-11(8-14(13)22-16(18)21)15(20)10-2-5-12(17)6-3-10/h2-8H,1H3
InChI Key:
QLBCPZFCKXXLAG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1ccc2c(c1)oc(=O)n2C(=O)C
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.03g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.709g/mol
Monoisotopic Mass:
315.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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