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J4Y

Summary
Name:(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
Formula:C12 H13 Cl N2 O2
Formal charge:0
Formula weight:252.697 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
OpenEye OEToolkits2.0.6(1~{S},2~{S})-~{N}'-(2-chloranylethanoyl)-2-phenyl-cyclopropane-1-carbohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(NC(=O)C1C(C1)c2ccccc2)C(CCl)=O
InChIInChI1.03InChI=1S/C12H13ClN2O2/c13-7-11(16)14-15-12(17)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)/t9-,10+/m1/s1
InChIKeyInChI1.03MDZKSIJGAAFPGQ-ZJUUUORDSA-N
SMILES_CANONICALCACTVS3.385ClCC(=O)NNC(=O)[C@H]1C[C@@H]1c2ccccc2
SMILESCACTVS3.385ClCC(=O)NNC(=O)[CH]1C[CH]1c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)[C@H]2C[C@@H]2C(=O)NNC(=O)CCl
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C2CC2C(=O)NNC(=O)CCl

222415

数据于2024-07-10公开中

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