Mefatinib Impurity 2

CAT: 1299-RM-M478002-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M478002-02Size:25 mg

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

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CAS Number

31374-18-2

Synonyms

7-chloroquinazolin-4-ol

Molecular Formula

C8H5ClN2O

Molecular Weight

180.59

Target Alternative Name

Mefatinib

Product Name Synonym

7-chloroquinazolin-4-ol

Chemical Information

7-Chloro-3H-quinazolin-4-one

CAS Number	31374-18-2
PubChem CID	135416175
IUPAC Name	7-chloro-3H-quinazolin-4-one
Molecular Formula	C8H5ClN2O
Molecular Weight	180.59
XLogP	1.3
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	229

SMILES

C1=CC2=C(C=C1Cl)N=CNC2=O

InChI

InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)

InChIKey

PMLONMIODRHERC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31374-18-2

CID: 135416175

Formula: C8H5ClN2O

MW: 180.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.59
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	180.0090405
Monoisotopic Mass	180.0090405
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	229
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