Erlotinib Impurity 105

CAT: 1299-RM-E122105-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-E122105-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

33432-52-9

Synonyms

2-methyl-4- (3-nitrophenyl) but-3-yn-2-ol

Molecular Formula

C11H11NO3

Molecular Weight

205.21

Target Alternative Name

Erlotinib

Product Name Synonym

2-methyl-4- (3-nitrophenyl) but-3-yn-2-ol

Chemical Information

3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-

CAS Number	33432-52-9
PubChem CID	118480
IUPAC Name	2-methyl-4-(3-nitrophenyl)but-3-yn-2-ol
Molecular Formula	C11H11NO3
Molecular Weight	205.21
XLogP	2.2
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	305

SMILES

CC(C)(C#CC1=CC(=CC=C1)[N+](=O)[O-])O

InChI

InChI=1S/C11H11NO3/c1-11(2,13)7-6-9-4-3-5-10(8-9)12(14)15/h3-5,8,13H,1-2H3

InChIKey

SFSQLOPNXVVBLC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33432-52-9

CID: 118480

Formula: C11H11NO3

MW: 205.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.21
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	205.07389321
Monoisotopic Mass	205.07389321
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	305
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