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13161-88-1 | 9(10H)-Acridinone, 4-chloro-1-nitro-
CAS No: 13161-88-1 Catalog No: AG000ZIA MDL No:
Product Description
Catalog Number:
AG000ZIA
Chemical Name:
9(10H)-Acridinone, 4-chloro-1-nitro-
CAS Number:
13161-88-1
Molecular Formula:
C13H7ClN2O3
Molecular Weight:
274.6593
IUPAC Name:
4-chloro-1-nitro-10H-acridin-9-one
InChI:
InChI=1S/C13H7ClN2O3/c14-8-5-6-10(16(18)19)11-12(8)15-9-4-2-1-3-7(9)13(11)17/h1-6H,(H,15,17)
InChI Key:
ZCZHSYVDWJDOPY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c2c1[nH]c1ccccc1c2=O)[N+](=O)[O-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.66g/mol
Monoisotopic Mass:
274.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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