3,6-Dibromo-2-methylphenol

CAT: 0127-OR1099721-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1099721-01Size:250 mg

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CAS Number

52045-21-3

MDL Number

MFCD18969994

Purity

97%

Smiles

C1 (ccc (c (c1C) O) Br) Br

Chemical Information

3,6-Dibromo-2-methylphenol

CAS Number	52045-21-3
PubChem CID	21572602
IUPAC Name	3,6-dibromo-2-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=C(C=CC(=C1O)Br)Br

InChI

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

InChIKey

QPWFTOHHAGHUAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52045-21-3

CID: 21572602

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
OR1101072-01	2,6-dibromo-3-methylphenol
OR95583-01	2,4-Dibromo-6-methylphenol
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PC105495	2,4-dibromo-6-fluoro-3-methylphenol
OR1097551-01	4,6-Dibromo-3-chloro-2-methylphenol
OR1098286-01	3,4-Dibromo-2-methylphenol
OR1010800-01	3,5-Dibromo-4-Methylphenol
OR1099085-01	2,4-Dibromo-5-methylphenol
OR957526	2,6-Dichloro-3-methylphenol
PC0260	2,6-Difluoro-3-methylphenol