2-bromo-5- (cyclohexyloxy) pyrazine

CAT: 0127-OR1080387Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

1086382-88-8

Smiles

C1 (ncc (nc1) OC1CCCCC1) Br

Chemical Information

2-Bromo-5-(cyclohexyloxy)pyrazine

CAS Number	1086382-88-8
PubChem CID	45787849
IUPAC Name	2-bromo-5-cyclohexyloxypyrazine
Molecular Formula	C10H13BrN2O
Molecular Weight	257.13
XLogP	2.9
Topological Polar Surface Area	35
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	174

SMILES

C1CCC(CC1)OC2=CN=C(C=N2)Br

InChI

InChI=1S/C10H13BrN2O/c11-9-6-13-10(7-12-9)14-8-4-2-1-3-5-8/h6-8H,1-5H2

InChIKey

KMGKYVTXIPBAAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1086382-88-8

CID: 45787849

Formula: C10H13BrN2O

MW: 257.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.13
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	256.02113
Monoisotopic Mass	256.02113
Topological Polar Surface Area	35 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174
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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