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Alprazolam EP Impurity A

CAT: 1596-AR-A01772-01Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-A01772-01Size:150
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CAS Number
27537-87-7
Synonyms
3-amino-6-chloro-2-methyl-4-phenyl-3,4-dihydroquinazolin-4-ol; 3-Amino-6-chloro-3,4-dihydro-4-hydroxy-2-methyl-4-phenylquinazoline
Molecular Formula
C15H14ClN3O
Molecular Weight
287.75
API Name
Alprazolam

Chemical Information

3-Amino-6-chloro-3,4-dihydro-2-methyl-4-phenyl-4-quinazolinol
CAS Number27537-87-7
PubChem CID20360443
IUPAC Name3-amino-6-chloro-2-methyl-4-phenylquinazolin-4-ol
Molecular FormulaC15H14ClN3O
Molecular Weight287.74
XLogP1.7
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity397
SMILES
CC1=NC2=C(C=C(C=C2)Cl)C(N1N)(C3=CC=CC=C3)O
InChI
InChI=1S/C15H14ClN3O/c1-10-18-14-8-7-12(16)9-13(14)15(20,19(10)17)11-5-3-2-4-6-11/h2-9,20H,17H2,1H3
InChIKey
IEQYCNKKNGEMAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-6-chloro-3,4-dihydro-2-methyl-4-phenyl-4-quinazolinol
CAS: 27537-87-7
CID: 20360443
Formula: C15H14ClN3O
MW: 287.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.74
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass287.0825398
Monoisotopic Mass287.0825398
Topological Polar Surface Area61.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity397
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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