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115396-48-0 | [1]Benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one, 2-chloro-1-methyl-9-nitro-
CAS No: 115396-48-0 Catalog No: AG000FXR MDL No:
Product Description
Catalog Number:
AG000FXR
Chemical Name:
[1]Benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one, 2-chloro-1-methyl-9-nitro-
CAS Number:
115396-48-0
Molecular Formula:
C17H10ClN3O4
Molecular Weight:
355.7320
IUPAC Name:
2-chloro-1-methyl-9-nitro-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one
InChI:
InChI=1S/C17H10ClN3O4/c1-8-11(18)3-5-14-15(8)16(22)10-7-19-13-6-9(21(23)24)2-4-12(13)20-17(10)25-14/h2-7,20H,1H3
InChI Key:
ZELZABSWCDCPHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)N=Cc1c(N2)oc2c(c1=O)c(C)c(cc2)Cl
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.036g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.734g/mol
Monoisotopic Mass:
355.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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