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CAT: 0607-BA9240-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA9240-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1187568-17-7
Form
A solid
Molecular Formula
C16H13ClN2O2
Molecular Weight
300.74
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

2-(4-Chlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinazolin-4-one
CAS Number1187568-17-7
PubChem CID44240655
IUPAC Name2-(4-chlorophenyl)-7-methoxy-3-methylquinazolin-4-one
Molecular FormulaC16H13ClN2O2
Molecular Weight300.74
XLogP3.1
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity432
SMILES
CN1C(=NC2=C(C1=O)C=CC(=C2)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H13ClN2O2/c1-19-15(10-3-5-11(17)6-4-10)18-14-9-12(21-2)7-8-13(14)16(19)20/h3-9H,1-2H3
InChIKey
XNYBZAGNXXIAKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinazolin-4-one
CAS: 1187568-17-7
CID: 44240655
Formula: C16H13ClN2O2
MW: 300.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.74
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass300.0665554
Monoisotopic Mass300.0665554
Topological Polar Surface Area41.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity432
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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