Vandetanib Impurity 2

CAT: 1299-RM-V042002-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-V042002-02Size:25 mg

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

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CAS Number

367-24-8

Synonyms

4-bromo-2-fluoroaniline

Molecular Formula

C6H5BrFN

Molecular Weight

190.01

Target Alternative Name

Vandetanib

Product Name Synonym

4-bromo-2-fluoroaniline

Chemical Information

4-Bromo-2-fluoroaniline

CAS Number	367-24-8
PubChem CID	123050
IUPAC Name	4-bromo-2-fluoroaniline
Molecular Formula	C6H5BrFN
Molecular Weight	190.01
XLogP	2.1
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

C1=CC(=C(C=C1Br)F)N

InChI

InChI=1S/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

InChIKey

GZRMNMGWNKSANY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 367-24-8

CID: 123050

Formula: C6H5BrFN

MW: 190.01

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	190.01
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	188.95894
Monoisotopic Mass	188.95894
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
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

Catalog	Name
FV28668-01	Vandetanib