2,4-Dibromo-5-methylphenol

CAT: 0127-OR1099085-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1099085-01Size:250 mg

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CAS Number

13321-76-1

MDL Number

MFCD33484630

Purity

97%

Smiles

Brc1c (C) cc (O) c (Br) c1

Chemical Information

Phenol, 2,4-dibromo-5(or 6)-methyl-

CAS Number	13321-76-1
PubChem CID	12336211
IUPAC Name	2,4-dibromo-5-methylphenol
Molecular Formula	C7H6Br2O
Molecular Weight	265.93
XLogP	3.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	118

SMILES

CC1=CC(=C(C=C1Br)Br)O

InChI

InChI=1S/C7H6Br2O/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3

InChIKey

ADALAQNFYPXDMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13321-76-1

CID: 12336211

Formula: C7H6Br2O

MW: 265.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.93
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	265.87649
Monoisotopic Mass	263.87854
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118
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
OR1010800-01	3,5-Dibromo-4-Methylphenol
OR95583-01	2,4-Dibromo-6-methylphenol
OR1098286-01	3,4-Dibromo-2-methylphenol
OR1010161-01	2,6-Dibromo-4-Methylphenol
PC105495	2,4-dibromo-6-fluoro-3-methylphenol
OR1097551-01	4,6-Dibromo-3-chloro-2-methylphenol
OR1101072-01	2,6-dibromo-3-methylphenol
OR1099721-01	3,6-Dibromo-2-methylphenol
PC1010859	2,4-Difluoro-5-methylphenol
PC56014-01	4,5-Difluoro-2-methylphenol

Catalog	Name
sc-266934	3,5-Dibromo-4-methylphenol
420730-01	2,6-Dibromo-4-methylphenol
AAA60922-01	2,4-Dibromo-6-methylphenol
D09980-01	2 6-Dibromo-4-Methylphenol 97%
NBA94660-01	2,5-Dichloro-4-methylphenol
JH63860	2,4-Dichloro-5-methylphenol
QBA62596-01	2,4-Diisopropyl-5-methylphenol
sc-225083	2- (5-Isoxazolyl) -4-methylphenol
sc-232534	4-Chloro-2- (5-isoxazolyl) -5-methylphenol
QAA06234-01	4-Bromo-2-isopropyl-5-methylphenol