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NSC 240423,NSC240423,LS-36149,Azobenzene, 4-bis(2-bromopropyl)amino-2&

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摘 要:NSC 240423,NSC240423,LS-36149,Azobenzene, 4-bis(2-bromopropyl)amino-2'-carboxy-2-methoxy-,BENZOIC ACID, 2-(4-BIS(2-BROMOPROPYL)AMINO-2-METHOXY)PHENYLAZO-,40136-96-7,Benzoic acid, 2-[[4-[bis(2-bromopropyl)amino]-2-methoxyphenyl]azo]-, 2-[4-(bis(2-
[Synonyms]
NSC 240423
NSC240423
LS-36149
Azobenzene, 4-bis(2-bromopropyl)amino-2'-carboxy-2-methoxy-
BENZOIC ACID, 2-(4-BIS(2-BROMOPROPYL)AMINO-2-METHOXY)PHENYLAZO-
40136-96-7
Benzoic acid, 2-[[4-[bis(2-bromopropyl)amino]-2-methoxyphenyl]azo]-

[Structure]
NSC 240423,NSC240423,LS-36149,Azobenzene, 4-bis(2-bromopropyl)amino-2&

[ Properties Computed from Structure]
Molecular Weight513.22292 [g/mol]
Molecular FormulaC20H23Br2N3O3
XLogP6.7
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count9
Exact Mass513.00857
MonoIsotopic Mass511.010617
Topological Polar Surface Area74.5
Heavy Atom Count28
Formal Charge0
Complexity513
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[4-(bis(2-bromopropyl)amino)-2-methoxyphenyl]diazenylbenzoic acid
Canonical SMILES: CC(CN(CC(C)Br)C1=CC(=C(C=C1)N=NC2=CC=CC=C2C(=O)O)OC)Br
InChI: InChI=1/C20H23Br2N3O3/c1-13(21)11-25(12-14(2)22)15-8-9-18(19(10-15)28-3)
24-23-17-7-5-4-6-16(17)20(26)27/h4-10,13-14H,11-12H2,1-3H3,(H,26,
27)/b24-23+/f/h26H

 
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