WHI-P 154 2mg

CAT: 0628-A14049-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A14049-2Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

211555-04-3

Chemical Information

Whi-P154

an anti-leukemic agent; structure in first source

CAS Number	211555-04-3
PubChem CID	3795
IUPAC Name	2-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
Molecular Formula	C16H14BrN3O3
Molecular Weight	376.20
XLogP	3.7
Topological Polar Surface Area	76.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	390

SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)O)Br)OC

InChI

InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)

InChIKey

CBIAKDAYHRWZCU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 211555-04-3

CID: 3795

Formula: C16H14BrN3O3

MW: 376.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	376.20
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	375.02185
Monoisotopic Mass	375.02185
Topological Polar Surface Area	76.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	390
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes