Gefitinib Impurity 76

CAT: 1299-RM-G062076-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G062076-01Size:10 mg

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CAS Number

2106-05-0

Synonyms

5-chloro-2-fluoroaniline

Molecular Formula

C6H5ClFN

Molecular Weight

145.56

Target Alternative Name

Gefitinib

Product Name Synonym

5-chloro-2-fluoroaniline

Chemical Information

5-Chloro-2-fluoroaniline

CAS Number	2106-05-0
PubChem CID	75015
IUPAC Name	5-chloro-2-fluoroaniline
Molecular Formula	C6H5ClFN
Molecular Weight	145.56
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=C1Cl)N)F

InChI

InChI=1S/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

InChIKey

JCYROOANFKVAIB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2106-05-0

CID: 75015

Formula: C6H5ClFN

MW: 145.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.56
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	145.0094550
Monoisotopic Mass	145.0094550
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