5-Bromo-2- (2-ethoxyethoxy) pyridine

CAT: 0127-OR1004419Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1004419Size:1 g

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CAS Number

1249442-19-0

MDL Number

MFCD14652079

Purity

95%

Smiles

CCOCCOc1ccc(Br)cn1

Chemical Information

2-(2-Ethoxyethoxy)-5-bromopyridine

CAS Number	1249442-19-0
PubChem CID	22412633
IUPAC Name	5-bromo-2-(2-ethoxyethoxy)pyridine
Molecular Formula	C9H12BrNO2
Molecular Weight	246.10
XLogP	2.1
Topological Polar Surface Area	31.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	135

SMILES

CCOCCOC1=NC=C(C=C1)Br

InChI

InChI=1S/C9H12BrNO2/c1-2-12-5-6-13-9-4-3-8(10)7-11-9/h3-4,7H,2,5-6H2,1H3

InChIKey

ZBVGEMXJEOQTAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1249442-19-0

CID: 22412633

Formula: C9H12BrNO2

MW: 246.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.10
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	245.00514
Monoisotopic Mass	245.00514
Topological Polar Surface Area	31.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	135
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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