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HLR

Summary
Name:1,2-benzoxazol-3-amine
Formula:C7 H6 N2 O
Formal charge:0
Formula weight:134.135 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,2-benzoxazol-3-amine
OpenEye OEToolkits1.7.61,2-benzoxazol-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2oc1ccccc1c2N
InChIInChI1.03InChI=1S/C7H6N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
InChIKeyInChI1.03NLMVYUBGWZWUGB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1noc2ccccc12
SMILESCACTVS3.385Nc1noc2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)c(no2)N
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)c(no2)N

221371

PDB entries from 2024-06-19

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