2-Bromo-6-methoxybenzamide

CAT: 0127-OR1007450-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1007450-01Size:250 mg

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CAS Number

1261581-85-4

Purity

98%

Smiles

O=C(N)C1=C(OC)C=CC=C1Br

Chemical Information

2-Bromo-6-methoxybenzamide

CAS Number	1261581-85-4
PubChem CID	72710405
IUPAC Name	2-bromo-6-methoxybenzamide
Molecular Formula	C8H8BrNO2
Molecular Weight	230.06
XLogP	0.7
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	174

SMILES

COC1=C(C(=CC=C1)Br)C(=O)N

InChI

InChI=1S/C8H8BrNO2/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H2,10,11)

InChIKey

RJASMINSPMLOQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261581-85-4

CID: 72710405

Formula: C8H8BrNO2

MW: 230.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.06
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	228.97384
Monoisotopic Mass	228.97384
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	12
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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Catalog	Name
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