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EBE-A22 2mg

CAT: 0628-A15074-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A15074-2Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
229476-53-3

Chemical Information

Ebe-A22
CAS Number229476-53-3
PubChem CID5328227
IUPAC NameN-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine
Molecular FormulaC17H16BrN3O2
Molecular Weight374.2
XLogP4.2
Topological Polar Surface Area47.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity387
SMILES
CN(C1=CC(=CC=C1)Br)C2=NC=NC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C17H16BrN3O2/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3
InChIKey
IPWGDOZPSOZFOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ebe-A22
CAS: 229476-53-3
CID: 5328227
Formula: C17H16BrN3O2
MW: 374.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight374.2
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass373.04259
Monoisotopic Mass373.04259
Topological Polar Surface Area47.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity387
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