36R

5-chloro-1,3-benzoxazol-2-amine

Created:	2014-06-25
Last modified:	2015-09-23

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1 entries where 36R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	10

2D diagram of 36R

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Chemical Component Summary
Name	5-chloro-1,3-benzoxazol-2-amine
Systematic Name (OpenEye OEToolkits)	5-chloranyl-1,3-benzoxazol-2-amine
Formula	C₇ H₅ Cl N₂ O
Molecular Weight	168.58
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc2nc(oc2cc1)N
SMILES	CACTVS	3.385	Nc1oc2ccc(Cl)cc2n1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Cl)nc(o2)N
Canonical SMILES	CACTVS	3.385	Nc1oc2ccc(Cl)cc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Cl)nc(o2)N
InChI	InChI	1.03	InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKey	InChI	1.03	YGCODSQDUUUKIV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6103
ChEMBL	CHEMBL472566
ChEBI	CHEBI:35053
CCDC/CSD	PAHBUW01, PAHBUW, LOMTEM, XUVPAG, RADGAF, LOMTAI
COD	2204380

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