WHI-P97 50mg

CAT: 0628-A11608-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A11608-50Size:50 mg

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

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CAS Number

211555-05-4

Chemical Information

Whi-P97

2,6-dibromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenol is a member of quinazolines.

CAS Number	211555-05-4
PubChem CID	3796
IUPAC Name	2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
Molecular Formula	C16H13Br2N3O3
Molecular Weight	455.10
XLogP	4.4
Topological Polar Surface Area	76.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	408

SMILES

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

InChI

InChI=1S/C16H13Br2N3O3/c1-23-13-5-9-12(6-14(13)24-2)19-7-20-16(9)21-8-3-10(17)15(22)11(18)4-8/h3-7,22H,1-2H3,(H,19,20,21)

InChIKey

YVCXQRVVNQMZEI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 211555-05-4

CID: 3796

Formula: C16H13Br2N3O3

MW: 455.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	455.10
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	454.93032
Monoisotopic Mass	452.93237
Topological Polar Surface Area	76.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	408
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