Methyl 2-bromo-4-ethoxybenzoate

CAT: 0127-OR1083508-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1083508-01Size:250 mg

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CAS Number

1427080-53-2

MDL Number

MFCD24368745

Purity

97%

Smiles

C1 (ccc (c (c1) Br) C (=O) OC) OCC

Chemical Information

Methyl 2-bromo-4-ethoxybenzoate

CAS Number	1427080-53-2
PubChem CID	122200705
IUPAC Name	methyl 2-bromo-4-ethoxybenzoate
Molecular Formula	C10H11BrO3
Molecular Weight	259.10
XLogP	2.8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

CCOC1=CC(=C(C=C1)C(=O)OC)Br

InChI

InChI=1S/C10H11BrO3/c1-3-14-7-4-5-8(9(11)6-7)10(12)13-2/h4-6H,3H2,1-2H3

InChIKey

BINDBQQWILXQOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1427080-53-2

CID: 122200705

Formula: C10H11BrO3

MW: 259.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.10
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	257.98916
Monoisotopic Mass	257.98916
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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

Catalog	Name
OR91337-01	Methyl 3-bromo-4-ethoxybenzoate
OR1098532	Methyl 2-bromo-5-ethoxybenzoate
OR1086041	Methyl 3-bromo-2-ethoxybenzoate
BUP13445-01	Methyl 4-ethoxybenzoate
OR937109-01	Methyl 4-ethoxybenzoate
OR1082916	Methyl 2-chloro-4-ethoxybenzoate
OR1094359-01	Methyl 3-bromo-5-ethoxybenzoate
OR1085195-01	Methyl 4-chloro-2-ethoxybenzoate
OR924750-01	Methyl 2-ethoxybenzoate
OR71009-01	Methyl 6-bromo-2-chloro-3-ethoxybenzoate

Catalog	Name
M24080-01	Methyl 4-ethoxybenzoate
455187-01	Methyl 3-bromo-5-ethoxybenzoate
FM67703-01	Methyl 2-ethoxybenzoate
HMB89653-01	Methyl 3- (chlorosulfonyl) -4-ethoxybenzoate
TRC-M293263-100MG	Methyl 4-Acetamido-5-chloro-2-ethoxybenzoate
M330568	Methyl 5-Acetyl-2-ethoxybenzoate
455230-01	Methyl 3-ethoxybenzoate
AIA57517-01	Methyl 5- (chlorosulfonyl) -2-ethoxybenzoate
VID41058-01	Methyl 4-amino-3-ethoxybenzoate hydrochloride
HY-W702965	Methyl 4-acetamido-5-chloro-2-ethoxybenzoate-d5