Ethyl 4-bromopicolinate

CAT: 0127-OR89917-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR89917-01Size:1 g

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CAS Number

62150-47-4

MDL Number

MFCD09839150

Purity

98%

Smiles

O=C(OCC)C1=NC=CC(Br)=C1

Chemical Information

Ethyl 4-bromopyridine-2-carboxylate

CAS Number	62150-47-4
PubChem CID	44181850
IUPAC Name	ethyl 4-bromopyridine-2-carboxylate
Molecular Formula	C8H8BrNO2
Molecular Weight	230.06
XLogP	2.1
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

CCOC(=O)C1=NC=CC(=C1)Br

InChI

InChI=1S/C8H8BrNO2/c1-2-12-8(11)7-5-6(9)3-4-10-7/h3-5H,2H2,1H3

InChIKey

ATVHAWNFNGFPEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62150-47-4

CID: 44181850

Formula: C8H8BrNO2

MW: 230.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.06
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	228.97384
Monoisotopic Mass	228.97384
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	12
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

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