3- (4-Bromo-2-Methylphenyl) Propionic Acid

CAT: 0127-OR1024151-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1024151-01Size:100 mg

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CAS Number

24078-17-9

Synonyms

3- (4-bromo-2-methylphenyl) propanoic acid

Purity

97%

Smiles

CC1=C(C=CC(=C1)Br)CCC(=O)O

Chemical Information

3-(4-Bromo-2-methylphenyl)propanoic acid

CAS Number	24078-17-9
PubChem CID	69202839
IUPAC Name	3-(4-bromo-2-methylphenyl)propanoic acid
Molecular Formula	C10H11BrO2
Molecular Weight	243.10
XLogP	2.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	182

SMILES

CC1=C(C=CC(=C1)Br)CCC(=O)O

InChI

InChI=1S/C10H11BrO2/c1-7-6-9(11)4-2-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)

InChIKey

RATJZPRBPBDIQH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24078-17-9

CID: 69202839

Formula: C10H11BrO2

MW: 243.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.10
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	241.99424
Monoisotopic Mass	241.99424
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182
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
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