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3-Hydroxyphenazepam Acetate

CAT: 0572-TRC-H295550-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H295550-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70030-10-3
Hazard Statement
No Data Available
Smiles
CC(=O)OC1N=C(c2ccccc2Cl)c3cc(Br)ccc3NC1=O
Molecular Formula
C17 H12 Br Cl N2 O3
Molecular Weight
407.646
InChI
InChI=1S/C17H12BrClN2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)
Additionnal Information
IUPAC name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
Shipping Conditions
Room Temperature

Chemical Information

7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
CAS Number70030-10-3
PubChem CID630731
IUPAC Name[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
Molecular FormulaC17H12BrClN2O3
Molecular Weight407.6
XLogP3
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity542
SMILES
CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H12BrClN2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)
InChIKey
WFNOHKYMHSJTSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
CAS: 70030-10-3
CID: 630731
Formula: C17H12BrClN2O3
MW: 407.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.6
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass405.97198
Monoisotopic Mass405.97198
Topological Polar Surface Area67.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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