2-Bromo-5-methylphenol

CAT: 0127-OR930096-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR930096-01Size:5 g

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CAS Number

14847-51-9

MDL Number

MFCD11100989

Purity

97%

Smiles

Cc1ccc(Br)c(O)c1

Chemical Information

2-Bromo-5-methylphenol

CAS Number	14847-51-9
PubChem CID	228638
IUPAC Name	2-bromo-5-methylphenol
Molecular Formula	C7H7BrO
Molecular Weight	187.03
XLogP	2.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

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

InChI

InChI=1S/C7H7BrO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3

InChIKey

WWGPJMNOBVKDQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14847-51-9

CID: 228638

Formula: C7H7BrO

MW: 187.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.03
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	185.96803
Monoisotopic Mass	185.96803
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
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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416091-01	2-Bromo-5-methylphenol
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AXB75449-01	2-Bromo-5-chloro-4-methylphenol
FWC80051-01	2-Bromo-3-chloro-5-methylphenol
APC16621-01	4-Bromo-5-fluoro-2-methylphenol
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424155-01	3-Bromo-2-fluoro-5-methylphenol
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