4-Bromo-2-methoxyphenol

CAT: 0127-OR22659-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR22659-01Size:1 g

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CAS Number

7368-78-7

Synonyms

4-Bromo-o-guaiacol, 5-Bromo-2-hydroxyanisole

MDL Number

MFCD00051937

Purity

98%

Smiles

COc1cc(Br)ccc1O

Chemical Information

4-Bromo-2-methoxyphenol

structure in first source

CAS Number	7368-78-7
PubChem CID	262234
IUPAC Name	4-bromo-2-methoxyphenol
Molecular Formula	C7H7BrO2
Molecular Weight	203.03
XLogP	1.5
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

COC1=C(C=CC(=C1)Br)O

InChI

InChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3

InChIKey

WHSIIJQOEGXWSN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7368-78-7

CID: 262234

Formula: C7H7BrO2

MW: 203.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.03
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	201.96294
Monoisotopic Mass	201.96294
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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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PC502908	2-Bromo-4-fluoro-6-methoxyphenol
OR399010-01	3-Bromo-4-methoxyphenol
OR30937-01	4-Bromo-3-methoxyphenol
PC1025711	4-Bromo-2-fluoro-6-methoxyphenol
PC1023578-01	5-Bromo-4-fluoro-2-methoxyphenol
OR27768	2-Bromo-4- (hydroxymethyl) -6-methoxyphenol
PC1009206-01	2-bromo-5-fluoro-4-methoxyphenol

Catalog	Name
430822-01	4-Bromo-2-methoxyphenol
265681-01	2-Bromo-4-methoxyphenol
sc-298943	3-Bromo-4-methoxyphenol
sc-261803A	4-Bromo-3-methoxyphenol
sc-284177	4-Bromo-5-fluoro-2-methoxyphenol
FA67809-01	2-Amino-6-bromo-4-methoxyphenol
KBA09064	4-Bromo-2- (hydroxymethyl) -6-methoxyphenol
435389-01	5-Bromo-2-fluoro-4-methoxyphenol
229977-01	2-Bromo-4-methoxyphenol 98+% (HPLC)
JH127201	2-Bromo-3-methoxyphenol