3-Bromo-6-methoxybenzene-1,2-diol

CAT: 0127-OR1002052-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1002052-01Size:250 mg

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CAS Number

61559-82-8

Purity

97%

Smiles

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

Chemical Information

3-Bromo-6-methoxybenzene-1,2-diol

CAS Number	61559-82-8
PubChem CID	3705874
IUPAC Name	3-bromo-6-methoxybenzene-1,2-diol
Molecular Formula	C7H7BrO3
Molecular Weight	219.03
XLogP	1.9
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	131

SMILES

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

InChI

InChI=1S/C7H7BrO3/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,9-10H,1H3

InChIKey

FRPLUCSOQCYPPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61559-82-8

CID: 3705874

Formula: C7H7BrO3

MW: 219.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.03
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	217.95786
Monoisotopic Mass	217.95786
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	131
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
OR1035606-01	5-Bromo-3-methoxybenzene-1,2-diol
OR1090814	2-methoxybenzene-1,3-diol
OR1025995-01	3-Bromo-6-Methoxybenzene-1,2-Diamine
OR305004-01	4-Methoxybenzene-1,2-diol
OR305005-01	4-Methoxybenzene-1,3-diol
OR8900-01	2-Methoxybenzene-1,4-diol
PC1004585-01	3-Bromo-6-fluorobenzene-1,2-diol
OR21990	2-Ethyl-5-methoxybenzene-1,3-diol
OR1099034	1-Bromo-2-ethoxy-3-methoxybenzene
OR1098194	1-Bromo-2-isopropoxy-3-methoxybenzene

Catalog	Name
TRC-B795830-100MG	2-Bromo-6-methoxybenzene-1,4-diol
EFC32965-01	2-Bromo-6-methoxybenzene-1-thiol
TRC-M331645-10G	2-Methoxybenzene-1,4-diol
TRC-M266448-50MG	4-methoxybenzene-1,2-diol
RG-M200836-01	5-Methoxybenzene-1,3-Diol
TRC-B789120-100MG	4-(tert-Butyl)-6-methoxybenzene-1,3-diol
AN KA 1208-01	5- (2-aminoethyl) -3-methoxybenzene-1,2-diol
LAC77575-01	1-Bromo-3- (difluoromethyl) -2-methoxybenzene
JH176966	2-Bromo-1-chloro-3-methoxybenzene
RID42558-01	3-Bromo-6-fluoro-2-methoxybenzene-1-sulfonyl chloride