AG005PDC

80051-04-3 | (R)-1-(3-Chlorophenyl)-1,2-ethanediol

AG005PDC

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CAS Number	80051-04-3
Catalog Number	AG005PDC(AGN-PC-0OIC51)
Chemical Name	(R)-1-(3-Chlorophenyl)-1,2-ethanediol
IUPAC Name	(1R)-1-(3-chlorophenyl)ethane-1,2-diol
InChI	InChI=1S/C8H9ClO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m0/s1
InChI Key	WLWZAZBRGPMXCW-QMMMGPOBSA-N
MDL Number	MFCD00798445
Molecular Formula	C8H9ClO2
Molecular Weight	172.6089
SMILES	OC[C@H](O)C1=CC(Cl)=CC=C1
Synonyms	(R)-1-(3-CHLOROPHENYL)-1,2-ETHANEDIOL, 80051-04-3, (R)-1-(3-Chlorophenyl)ethane-1,2-diol, (1R)-1-(3-chlorophenyl)-1,2-Ethanediol, AK-45027, SCHEMBL2879198, CTK5E7415, KS-00000LKP, DTXSID80431131, WLWZAZBRGPMXCW-QMMMGPOBSA-N, ZINC2569730, ANW-66475, FCH842252, FD1214, MFCD00798445, AKOS006271433, (r)-m-chloro-1-phenylethane-1,2-diol, AC-23807, AJ-41758, DS-13461, SC-52721, (r)-2-(3-chlorophenyl)-2-hydroxyethanol, (R)-1-(3-Chloro-phenyl)-1,2-ethanediol, AX8047193, DB-058129, TX-015670, FT-0687335, X3148, 1,2-Ethanediol,1-(3-chlorophenyl)-, (1R)-, C8H9ClO2, -1- -1,2-ETHANEDIOL, CB12055, CID9815352, (1S)-1-(3-chlorophenyl)ethane-1,2-diol,

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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