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10146-32-4 | 9,10-Anthracenedione, 6-chloro-1,4-bis(cyclohexylamino)-
CAS No: 10146-32-4 Catalog No: AG0004J7 MDL No:
Product Description
Catalog Number:
AG0004J7
Chemical Name:
9,10-Anthracenedione, 6-chloro-1,4-bis(cyclohexylamino)-
CAS Number:
10146-32-4
Molecular Formula:
C26H29ClN2O2
Molecular Weight:
436.9737
IUPAC Name:
6-chloro-1,4-bis(cyclohexylamino)anthracene-9,10-dione
InChI:
InChI=1S/C26H29ClN2O2/c27-16-11-12-19-20(15-16)26(31)24-22(29-18-9-5-2-6-10-18)14-13-21(23(24)25(19)30)28-17-7-3-1-4-8-17/h11-15,17-18,28-29H,1-10H2
InChI Key:
OYHYXJOUXJKBSO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)c1c(C2=O)c(ccc1NC1CCCCC1)NC1CCCCC1
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.192g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.98g/mol
Monoisotopic Mass:
436.192g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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