Basic information
- CAS
59365-60-5- Standard SMILES
OCC(O)c1ccccc1Cl- InChIKey
YGOPULMDEZVJGI-UHFFFAOYSA-N- Molecular formula
- C8H9ClO2
- Average molar mass
- 172.61 g/mol
- Monoisotopic mass
- 172.0291072
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)ethane-1,2-diol
- IUPAC
- 1-(2-chlorophenyl)ethane-1,2-diol
- English name
- 1-Chloro-2-(1,2-ethanediol)benzene
- Molecular formula
- C8H9ClO2
- Molecular weight
- 172.61
Names & synonyms
1-(2-chlorophenyl)ethane-1,2-diol59365-60-51,2-Ethanediol, 1-(2-chlorophenyl)-Tulobuterol Impurity 11(S)-1-(2-chlorophenyl)ethane-1,2-diol1-(2-Chlorophenyl)-1,2-ethanediolTULOBUTEROL_met011SCHEMBL382030o-chlorophenyl-1,2-ethanediolSCHEMBL29711020DTXSID30974780YGOPULMDEZVJGI-UHFFFAOYSA-N
Show more names
Carisbamate Impurity 1
AKOS016053341SB469011-(2-chloro-phenyl)-ethane-1,2-diolLS-13416o-chloro-alpha-(hydroxymethyl)benzylalcoholDB-0116401-CHLORO-2-(1,2-ETHANEDIOL)BENZENEEN300-1240475
Database identifiers
- CAS
59365-60-5- PubChem CID
- 101026
- DTXSID
DTXSID30974780- Nikkaji
- J1.433.631A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
Collision Cross Section130.69 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Chemistry & industry
Suppliers7 total
济南百隆化学有限公司[email protected] · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
南京迈凯医药科技有限公司17366198809 · [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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