2-Bromo-3,4,5-trimethoxybenzoic acid

HCID 313097
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Basic information

CAS
23346-82-9
Standard SMILES
COc1cc(C(=O)O)c(Br)c(OC)c1OC
InChIKey
AUVPVHYYPCTFAV-UHFFFAOYSA-N
Molecular formula
C10H11BrO5
Average molar mass
291.09 g/mol
Monoisotopic mass
289.97898555

Names & identifiers

Preferred name
2-Bromo-3,4,5-trimethoxybenzoic acid
IUPAC
2-bromo-3,4,5-trimethoxybenzoic acid
English name
2-BROMO-3,4,5-TRIMETHOXYBENZOIC ACID
Molecular formula
C10H11BrO5
Molecular weight
291.1

Names & synonyms

2-Bromo-3,4,5-trimethoxybenzoic acid23346-82-9Benzoic acid, 2-bromo-3,4,5-trimethoxy-MFCD081436332-Bromo-3,4,5-trimethoxy-benzoic acidNSC-226197NSC-226216NSC226216MR7T6DL6BYSCHEMBL4302772DTXSID003103732-Bromogallic acid trimethyl ether
Show more names
ALBB-010434NSC226197SBB016643STK666693AKOS000272470NCGC00342809-012-Bromo-3,4,5-trimethoxybenzoic acid #LS-03535

Database identifiers

CAS
23346-82-9
PubChem CID
313097
DTXSID
DTXSID00310373
UNII
MR7T6DL6BY

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
65 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
16

Physicochemical properties

FDA UNII
7 T6DL6BY · MR7T6DL6BY
HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers9 total

赛纳斯特化学（欢迎点击联系）021-60343070
南京伶亚生物医药科技有限公司18068075658 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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