Details
Stereochemistry | RACEMIC |
Molecular Formula | C9H13N.C8H7ClO3 |
Molecular Weight | 321.799 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(N)CC1=CC=CC=C1.OC(=O)COC2=CC=C(Cl)C=C2
InChI
InChIKey=IDSYNZFSNCSZRC-UHFFFAOYSA-N
InChI=1S/C9H13N.C8H7ClO3/c1-8(10)7-9-5-3-2-4-6-9;9-6-1-3-7(4-2-6)12-5-8(10)11/h2-6,8H,7,10H2,1H3;1-4H,5H2,(H,10,11)
Approval Year
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44145203
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admin on Fri Dec 15 17:09:15 GMT 2023 , Edited by admin on Fri Dec 15 17:09:15 GMT 2023
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100000085130
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SUB00437MIG
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212-337-2
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1SGK1QW95U
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admin on Fri Dec 15 17:09:15 GMT 2023 , Edited by admin on Fri Dec 15 17:09:15 GMT 2023
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791-19-5
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admin on Fri Dec 15 17:09:15 GMT 2023 , Edited by admin on Fri Dec 15 17:09:15 GMT 2023
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DTXSID101000262
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admin on Fri Dec 15 17:09:15 GMT 2023 , Edited by admin on Fri Dec 15 17:09:15 GMT 2023
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PARENT (SALT/SOLVATE)
SUBSTANCE RECORD