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6-Methyl Bromazepam

CAT: 0572-TRC-M294220-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M294220-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
868350-97-4
Synonyms
7-Bromo-5-(6-methylpyridin-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one; Bromazepam Imp. C (EP); Bromazepam Impurity C
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cc1cccc(n1)C2=NCC(=O)Nc3ccc(Br)cc23
Molecular Formula
C15 H12 Br N3 O
Molecular Weight
330.18
InChI
InChI=1S/C15H12BrN3O/c1-9-3-2-4-13(18-9)15-11-7-10(16)5-6-12(11)19-14(20)8-17-15/h2-7H,8H2,1H3,(H,19,20)
Additionnal Information
IUPAC name: 7-bromo-5-(6-methylpyridin-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

7-Bromo-5-(6-methylpyridin-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CAS Number868350-97-4
PubChem CID71750235
IUPAC Name7-bromo-5-(6-methyl-2-pyridinyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular FormulaC15H12BrN3O
Molecular Weight330.18
XLogP2.1
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity412
SMILES
CC1=NC(=CC=C1)C2=NCC(=O)NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C15H12BrN3O/c1-9-3-2-4-13(18-9)15-11-7-10(16)5-6-12(11)19-14(20)8-17-15/h2-7H,8H2,1H3,(H,19,20)
InChIKey
QZOXQUQNSNCNFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromo-5-(6-methylpyridin-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CAS: 868350-97-4
CID: 71750235
Formula: C15H12BrN3O
MW: 330.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.18
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass329.01637
Monoisotopic Mass329.01637
Topological Polar Surface Area54.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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