Afatinib Impurity Y

CAT: 1299-RM-A062025-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A062025-02Size:25 mg

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CAS Number

2365-85-7

Synonyms

3-amino-4-fluorobenzoic acid

Molecular Formula

C7H6FNO2

Molecular Weight

155.13

Target Alternative Name

Afatinib

Product Name Synonym

3-amino-4-fluorobenzoic acid

Chemical Information

3-Amino-4-fluorobenzoic acid

CAS Number	2365-85-7
PubChem CID	75396
IUPAC Name	3-amino-4-fluorobenzoic acid
Molecular Formula	C7H6FNO2
Molecular Weight	155.13
XLogP	1
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	163

SMILES

C1=CC(=C(C=C1C(=O)O)N)F

InChI

InChI=1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)

InChIKey

WFSPEVFSRUTRCN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2365-85-7

CID: 75396

Formula: C7H6FNO2

MW: 155.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.13
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	155.03825660
Monoisotopic Mass	155.03825660
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163
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
RM-A062001-01	Afatinib Impurity A
RM-A062088-01	Afatinib Impurity 88 (Afatinib Dimer)
RM-A062081-01	Afatinib Impurity 81
RM-A062078-01	Afatinib Impurity 78
RM-A062077-01	Afatinib Impurity 77
RM-A062076-01	Afatinib Impurity 76
RM-A062004-01	Afatinib Impurity D
RM-A062009-01	Afatinib Impurity I
RM-A062072-01	Afatinib Impurity 72
RM-A062132-01	Afatinib Impurity 132

Catalog	Name
AR-A01479-01	Afatinib Impurity A
AR-A01485-01	Afatinib Impurity D (Z-Afatinib)
AR-A01500-01	Afatinib Impurity L (Afatinib N-Oxide)
HY-Z4740-01	Afatinib impurity 90
HY-133780-01	Afatinib impurity 11
GTR19280858-01	Afatinib impurity 6
GTR19280782-01	Afatinib impurity 17
GTR19280677-01	Afatinib impurity 35
AR-A01511-01	Afatinib Impurity 21
AR-A05743-01	Afatinib Impurity 59