Fruquintinib Impurity 25

CAT: 1299-RM-F182125-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F182125-01Size:10 mg

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

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CAS Number

13790-39-1

Synonyms

4-chloro-6,7-dimethoxyquinazoline

Molecular Formula

C10H9ClN2O2

Molecular Weight

224.64

Target Alternative Name

Fruquintinib

Product Name Synonym

4-chloro-6,7-dimethoxyquinazoline

Chemical Information

4-Chloro-6,7-dimethoxyquinazoline

CAS Number	13790-39-1
PubChem CID	2769364
IUPAC Name	4-chloro-6,7-dimethoxyquinazoline
Molecular Formula	C10H9ClN2O2
Molecular Weight	224.64
XLogP	2.4
Topological Polar Surface Area	44.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	218

SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OC

InChI

InChI=1S/C10H9ClN2O2/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h3-5H,1-2H3

InChIKey

LLLHRNQLGUOJHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13790-39-1

CID: 2769364

Formula: C10H9ClN2O2

MW: 224.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.64
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	224.0352552
Monoisotopic Mass	224.0352552
Topological Polar Surface Area	44.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	218
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