3,5-Dibromo-4-chlorophenol

CAT: 0127-OR470759Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR470759Size:1 Each

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CAS Number

74104-19-1

MDL Number

MFCD18914596

Purity

=95%

Smiles

Oc1cc(Br)c(Cl)c(Br)c1

Chemical Information

3,5-Dibromo-4-chlorophenol

CAS Number	74104-19-1
PubChem CID	20568685
IUPAC Name	3,5-dibromo-4-chlorophenol
Molecular Formula	C6H3Br2ClO
Molecular Weight	286.35
XLogP	3.6
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	110

SMILES

C1=C(C=C(C(=C1Br)Cl)Br)O

InChI

InChI=1S/C6H3Br2ClO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H

InChIKey

BVXNCUMOFKGFKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74104-19-1

CID: 20568685

Formula: C6H3Br2ClO

MW: 286.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.35
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	285.82187
Monoisotopic Mass	283.82392
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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

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