NCR

2-NITRO-P-CRESOL

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where NCR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of NCR

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Chemical Component Summary
Name	2-NITRO-P-CRESOL
Systematic Name (OpenEye OEToolkits)	4-methyl-2-nitro-phenol
Formula	C₇ H₇ N O₃
Molecular Weight	153.135
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=[N+]([O-])c1cc(ccc1O)C
SMILES	CACTVS	3.341	Cc1ccc(O)c(c1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(c(c1)[N+](=O)[O-])O
Canonical SMILES	CACTVS	3.341	Cc1ccc(O)c(c1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(c(c1)[N+](=O)[O-])O
InChI	InChI	1.03	InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
InChIKey	InChI	1.03	SYDNSSSQVSOXTN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04110
Name	2-Nitro-4-cresol
Groups	experimental
Synonyms	o-Nitro-p-cresol 2-Nitro-4-cresol 2-Nitro-4-methylphenol 2-Nitro-P-cresol
Categories	Benzene Derivatives Phenols
CAS number	119-33-5

Related Resource References

Resource Name	Reference
PubChem	8391
ChEMBL	CHEMBL1234658

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