Basic information
- CAS
106931-79-7- Standard SMILES
O=C(O)c1ccc(OCc2ccccc2)c(Cl)c1- InChIKey
MQUAYIQAPMFLCC-UHFFFAOYSA-N- Molecular formula
- C14H11ClO3
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0396719
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-3-chlorobenzoic acid
- IUPAC
- 3-chloro-4-phenylmethoxybenzoic acid
- English name
- 4-Benzyloxy-3-chloro-benzoic acid
- Molecular formula
- C14H11ClO3
- Molecular weight
- 262.69
Names & synonyms
4-(benzyloxy)-3-chlorobenzoic acid106931-79-73-chloro-4-phenylmethoxybenzoic acidBenzoic acid, 3-chloro-4-(phenylmethoxy)-NSC210282MFCD062032034-Benzyloxy-3-chloro-benzoic acidNSC-2102824-benzyloxy-3-chlorobenzoic acidNCIStruc1_000871NCIStruc2_001829SCHEMBL243754
Show more names
RARECHEM AL BE 0478CHEMBL1334482DTXSID50308861MQUAYIQAPMFLCC-UHFFFAOYSA-NCCG-36790NCGC00014579NCI210282STL573083
Database identifiers
- CAS
106931-79-7- PubChem CID
- 308481
- DTXSID
DTXSID50308861- ChEMBL
CHEMBL1334482
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Appearance
- white powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
苏州明石新科生物科技有限公司13914069417 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
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