AG00147V

133082-13-0 | 1,2-Ethanediol, 1-(2-chlorophenyl)-, (1S)-

AG00147V

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CAS Number	133082-13-0
Catalog Number	AG00147V(AGN-PC-0O139Q)
Chemical Name	1,2-Ethanediol, 1-(2-chlorophenyl)-, (1S)-
IUPAC Name	(1S)-1-(2-chlorophenyl)ethane-1,2-diol
InChI	InChI=1S/C8H9ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1
InChI Key	YGOPULMDEZVJGI-MRVPVSSYSA-N
MDL Number	MFCD01863241
Molecular Formula	C8H9ClO2
Molecular Weight	172.6089
SMILES	O[C@@H](C1=CC=CC=C1Cl)CO
Synonyms	133082-13-0, (S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol, (1S)-1-(2-chlorophenyl)ethane-1,2-diol, (S)-2-(2-Chlorophenyl)ethane-1,2-diol, (S)-1-(2-Chlorophenyl)-1,2-ethanediol, 1,2-Ethanediol, 1-(2-chlorophenyl)-, (1S)-, (S)-1-(2-chlorophenyl)ethane-1,2-diol, AK-44949, AC1MBZFF, PubChem16150, KSC492Q8T, SCHEMBL7468533, CTK3J2889, DTXSID60369968, ZINC403281, KS-00000LB7, ANW-46663, FD1211, MFCD01863241, AKOS005146012, FCH3457983, AC-23806, AJ-22008, AN-32117, CJ-03835, DS-13424, SC-25196, (1s)-1-(2-chlorophenyl)-1,2-ethanediol, AB0030882, AX8043780, DB-011640, RT-001113, ST2402696, FT-0687334, ST50405916, X3149, (1s)-1-(2-chlorophenyl)ethane-1,2-diol 95%, (1s)-1-(2-chlorophenyl)ethane-1,2-diol,95%, 1,2-Ethanediol,1-(2-chlorophenyl)-, (1S)-, 082C130, A806550, J-006306, (s)-(+)-1-(2-chlorophenyl)-1 2- &, (S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol, 96%, I14-45429, C8H9ClO2, -1- ETHANE-1,2-DIOL, ZINC00403281, CID2733674, (S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol, 96% 250mg,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	172.029g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.608g/mol
Monoisotopic Mass	172.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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