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15990-92-8 | 2H-1-Benzopyran-2-one, 6-[[[4-[bis(2-chloroethyl)amino]phenyl]methylene]amino]-
CAS No: 15990-92-8 Catalog No: AG001RIC MDL No:
Product Description
Catalog Number:
AG001RIC
Chemical Name:
2H-1-Benzopyran-2-one, 6-[[[4-[bis(2-chloroethyl)amino]phenyl]methylene]amino]-
CAS Number:
15990-92-8
Molecular Formula:
C20H18Cl2N2O2
Molecular Weight:
389.2751
IUPAC Name:
6-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]chromen-2-one
InChI:
InChI=1S/C20H18Cl2N2O2/c21-9-11-24(12-10-22)18-5-1-15(2-6-18)14-23-17-4-7-19-16(13-17)3-8-20(25)26-19/h1-8,13-14H,9-12H2
InChI Key:
KVCCZWCGZPFFCN-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C=Nc1ccc2c(c1)ccc(=O)o2)CCCl
NSC Number:
72153
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.075g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.276g/mol
Monoisotopic Mass:
388.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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