3-Bromo-5-methoxybenzamide

CAT: 0127-OR1059596-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1059596-01Size:100 mg

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CAS Number

1177558-45-0

MDL Number

MFCD18391871

Purity

98%

Smiles

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

Chemical Information

3-Bromo-5-methoxybenzamide

CAS Number	1177558-45-0
PubChem CID	57813371
IUPAC Name	3-bromo-5-methoxybenzamide
Molecular Formula	C8H8BrNO2
Molecular Weight	230.06
XLogP	2.3
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=CC(=CC(=C1)C(=O)N)Br

InChI

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

InChIKey

BCLZHRBOXZTZIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1177558-45-0

CID: 57813371

Formula: C8H8BrNO2

MW: 230.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.06
XLogP3	2.3
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
CXB55845-01	3-Bromo-5-methoxybenzamide
ZDA84843-01	2-bromo-5-methoxybenzamide
435463-01	5-Bromo-2-methoxybenzamide
sc-256706	4-Bromo-3-methoxybenzamide
sc-335712	3-bromo-4-methoxybenzamide
DXC58625-01	N- (3-Aminopropyl) -2-bromo-5-methoxybenzamide hydrochloride
sc-301335	N-Ethyl 4-bromo-3-methoxybenzamide
sc-301395	N-Propyl 4-bromo-3-methoxybenzamide
sc-301366A	N-Methyl 4-bromo-3-methoxybenzamide
458541-01	N-Cyclohexyl 4-bromo-3-methoxybenzamide