A9W

[3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium

Created:	2017-08-18
Last modified:	2018-09-05

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1 entries where A9W is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of A9W

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Chemical Component Summary
Name	[3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium
Systematic Name (OpenEye OEToolkits)	[3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium
Formula	C₁₄ H₁₅ Cl N O
Molecular Weight	248.728
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(O)c(c1)c2ccc(C[NH3+])cc2Cl
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O
Canonical SMILES	CACTVS	3.385	Cc1ccc(O)c(c1)c2ccc(C[NH3+])cc2Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O
InChI	InChI	1.03	InChI=1S/C14H14ClNO/c1-9-2-5-14(17)12(6-9)11-4-3-10(8-16)7-13(11)15/h2-7,17H,8,16H2,1H3/p+1
InChIKey	InChI	1.03	NVQGRPSPOJZMIF-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	137348912

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