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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H10Cl3NO3
Molecular Weight 298.55
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLORACETADOL, (S)-

SMILES

CC(=O)NC1=CC=C(O[C@H](O)C(Cl)(Cl)Cl)C=C1

InChI

InChIKey=NFZJQAPVHJPJMD-VIFPVBQESA-N
InChI=1S/C10H10Cl3NO3/c1-6(15)14-7-2-4-8(5-3-7)17-9(16)10(11,12)13/h2-5,9,16H,1H3,(H,14,15)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H10Cl3NO3
Molecular Weight 298.55
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
W4W1M96RG5
Record Status Validated (UNII)
Record Version