AG00C16A

227947-06-0 | 3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol

AG00C16A

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CAS Number	227947-06-0
Catalog Number	AG00C16A(AGN-PC-0JEKDB)
Chemical Name	3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol
IUPAC Name	3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
InChI	InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3
InChI Key	HDTYUHNZRYZEEB-UHFFFAOYSA-N
MDL Number	MFCD02683414
Molecular Formula	C21H27ClO5
Molecular Weight	394.8891
SMILES	OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O
Synonyms	EPI 001, EPI-001, EPI001, EPI-001, 227947-06-0, BADGE-HCl-H2O, EPI 001, Bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether, 3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol, 3-(4-{2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl}phenoxy)propane-1,2-diol, AC1N56RN, SCHEMBL12267194, CHEBI:59642, CTK8F8201, DTXSID30400170, BCP18361, EX-A2389, s7955, AC-29035, ACM227947060, EPI-001, >=98% (HPLC), RT-011557, BISPHENOL A-(3-CHLORO-2-HYDROXYPROPYL)-amp, J-014857, 2-[4-(3-Chloro-2-hydroxypropyloxy)phenyl]-2-[4-(2,3-dihydroxypropyloxy)phenyl]propane, 3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol, 3-[4-[4-(2-Hydroxy-3-chloropropoxy)-alpha,alpha-dimethylbenzyl]phenoxy]propane-1,2-diol, Bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether, analytical standard, BISPHENOLA- -&, D0T1DZ, EPI001, CID4166922, C551471, 3-[4-[2-[4-(3-chloro-2-hydroxy-propoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol,

Complexity	403
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	394.155g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	394.892g/mol
Monoisotopic Mass	394.155g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	79.2A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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