5-Butoxy-2-chloropyridine

CAT: 0926-KFC02119-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-KFC02119-01Size:50 mg

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CAS Number

1385021-19-1

MDL Number

MFCD23903435

Smiles

CCCCOC1=CN=C (C=C1) Cl

Molecular Formula

C9H12ClNO

Molecular Weight

185.65 g/mol

Controlled

Chemical Information

5-Butoxy-2-chloropyridine

CAS Number	1385021-19-1
PubChem CID	80454760
IUPAC Name	5-butoxy-2-chloropyridine
Molecular Formula	C9H12ClNO
Molecular Weight	185.65
XLogP	3
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	121

SMILES

CCCCOC1=CN=C(C=C1)Cl

InChI

InChI=1S/C9H12ClNO/c1-2-3-6-12-8-4-5-9(10)11-7-8/h4-5,7H,2-3,6H2,1H3

InChIKey

MKMNCGKKULINJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1385021-19-1

CID: 80454760

Formula: C9H12ClNO

MW: 185.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.65
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	185.0607417
Monoisotopic Mass	185.0607417
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	121
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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