2-Bromo-4- (1-methylethoxy) pyridine

CAT: 0127-OR1080602-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1080602-01Size:500 mg

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CAS Number

1142194-66-8

MDL Number

MFCD11869639

Purity

97%

Smiles

O (C (C) C) c1cc (Br) ncc1

Chemical Information

2-Bromo-4-isopropoxypyridine

CAS Number	1142194-66-8
PubChem CID	45787951
IUPAC Name	2-bromo-4-propan-2-yloxypyridine
Molecular Formula	C8H10BrNO
Molecular Weight	216.07
XLogP	2.6
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

CC(C)OC1=CC(=NC=C1)Br

InChI

InChI=1S/C8H10BrNO/c1-6(2)11-7-3-4-10-8(9)5-7/h3-6H,1-2H3

InChIKey

JNKIIJYPNGOUMF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1142194-66-8

CID: 45787951

Formula: C8H10BrNO

MW: 216.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.07
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	214.99458
Monoisotopic Mass	214.99458
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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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