Propyl 3-Bromo-4-Hydroxybenzoate

CAT: 1596-AR-M04488-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04488-01Size:10 Units

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CAS Number

37470-59-0

Synonyms

Propyl 3-bromo-4-hydroxybenzoate

Molecular Formula

C10H11BrO3

Molecular Weight

259.10

API Name

Methoxybenzoate

Chemical Information

Benzoic acid, 3-bromo-4-hydroxy-, propyl ester

CAS Number	37470-59-0
PubChem CID	53883211
IUPAC Name	propyl 3-bromo-4-hydroxybenzoate
Molecular Formula	C10H11BrO3
Molecular Weight	259.10
XLogP	3.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

CCCOC(=O)C1=CC(=C(C=C1)O)Br

InChI

InChI=1S/C10H11BrO3/c1-2-5-14-10(13)7-3-4-9(12)8(11)6-7/h3-4,6,12H,2,5H2,1H3

InChIKey

HLGLZIHUZLGLGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37470-59-0

CID: 53883211

Formula: C10H11BrO3

MW: 259.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.10
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	257.98916
Monoisotopic Mass	257.98916
Topological Polar Surface Area	46.5 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
AR-C04094-01	Propyl 4-Hydroxybenzoate (Propyl Paraben)
AR-B06677-01	2,3-Dihydroxypropyl 4-Hydroxybenzoate
AR-P01182	Benzyl 4-Hydroxybenzoate
AR-P01185	Isopropyl 4-hydroxybenzoate
AR-P01183-01	Pentyl 4-Hydroxybenzoate
AR-P01184	Phenyl 4-Hydroxybenzoate
AR-P01188-01	N-Butyl-4-Hydroxybenzoate
AR-B06673-01	1,3-Dihydroxypropan-2-yl 4-Hydroxybenzoate
AR-P32942-01	Propyl 2-bromo-2-methylpropionate
AR-B06768-01	Methyl 3- (((4- (ethoxycarbonyl) phenyl) amino) methyl) -4-Hydroxybenzoate

Catalog	Name
RG-A262174-01	Propyl 3-Bromo-4-Hydroxybenzoate
OR1061775-01	Propyl 2-bromo-4-hydroxybenzoate
GK2194-500g	Propyl 4-hydroxybenzoate
OR957605	Propyl-3-hydroxybenzoate
TRC-P838285-10G	Propyl 4-Hydroxybenzoate(Propyl Paraben)
FP63482-01	N-Propyl-4-hydroxybenzoate
286408-01	Propyl Paraben (4-Hydroxybenzoate)
TRC-P839408-10MG	Propyl 3,5-Dichloro-4-hydroxybenzoate
OR1031922-01	3- (Dibutylamino) propyl 4-hydroxybenzoate (Hydrochloride)
GX7720-250g	Propyl 4-hydroxybenzoate sodium salt