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856-27-9 | Benzoic acid,4-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]hydrazinyl]-
CAS No: 856-27-9 Catalog No: AG0050YY MDL No:
Product Description
Catalog Number:
AG0050YY
Chemical Name:
Benzoic acid,4-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]hydrazinyl]-
CAS Number:
856-27-9
Molecular Formula:
C18H19Cl2N3O2
Molecular Weight:
380.2684
IUPAC Name:
4-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]benzoic acid
InChI:
InChI=1S/C18H19Cl2N3O2/c19-9-11-23(12-10-20)17-7-1-14(2-8-17)13-21-22-16-5-3-15(4-6-16)18(24)25/h1-8,13,22H,9-12H2,(H,24,25)
InChI Key:
QMJQZMRLWXVMAN-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C=NNc1ccc(cc1)C(=O)O)CCCl
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.085g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.269g/mol
Monoisotopic Mass:
379.085g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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