3-Bromo-5-cyclopropoxybenzoic acid

CAT: 0926-TZB44696-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-TZB44696-01Size:50 mg

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CAS Number

1243446-96-9

MDL Number

MFCD17009755

Smiles

C1CC1OC2=CC (=CC (=C2) C (=O) O) Br

Molecular Formula

C10H9BrO3

Molecular Weight

257.08 g/mol

Controlled

Chemical Information

3-Bromo-5-cyclopropoxybenzoic acid

CAS Number	1243446-96-9
PubChem CID	72233263
IUPAC Name	3-bromo-5-cyclopropyloxybenzoic acid
Molecular Formula	C10H9BrO3
Molecular Weight	257.08
XLogP	2.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	227

SMILES

C1CC1OC2=CC(=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C10H9BrO3/c11-7-3-6(10(12)13)4-9(5-7)14-8-1-2-8/h3-5,8H,1-2H2,(H,12,13)

InChIKey

ABQJCEFBGAOWDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1243446-96-9

CID: 72233263

Formula: C10H9BrO3

MW: 257.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.08
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	255.97351
Monoisotopic Mass	255.97351
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	227
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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