AG007I5N

104-29-0 | 3-(4-Chlorophenoxy)propane-1,2-diol

AG007I5N

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CAS Number	104-29-0
Catalog Number	AG007I5N(AGN-PC-0JK87Q)
Chemical Name	3-(4-Chlorophenoxy)propane-1,2-diol
EC Number	203-192-6
IUPAC Name	3-(4-chlorophenoxy)propane-1,2-diol
InChI	InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2
InChI Key	MXOAEAUPQDYUQM-UHFFFAOYSA-N
MDL Number	MFCD00021990
Molecular Formula	C9H11ClO3
Molecular Weight	202.6348
NSC Number	6401
SMILES	OCC(O)COC1=CC=C(Cl)C=C1
Synonyms	Chlorphenesin, chlorphenesin, 104-29-0, 3-(4-Chlorophenoxy)-1,2-propanediol, 3-(4-chlorophenoxy)propane-1,2-diol, Chlorophenesin, Adermykon, Gecophen, Chlorphenesinum, Demykon, Mycil, Chlorphenesine, Clorfenesina, p-Chlorophenyl glyceryl ether, 2-Chlorphenesin, 1,2-Propanediol, 3-(4-chlorophenoxy)-, Clorfenesina [INN-Spanish], Chlorphenesine [INN-French], Chlorphenesinum [INN-Latin], 3-(p-Chlorophenoxy)-1,2-propanediol, C9H11ClO3, Glycerol alpha-p-chlorophenyl ether, p-Chlorophenyl-alpha-glyceryl ether, Gechophen, p-Chlorophenyl, Chlorphenesin [INN:BAN], NSC 6401, alpha-Glyceryl ether, EINECS 203-192-6, 1,2-PROPANEDIOL, 3-(p-CHLOROPHENOXY)-, 3-(p-Chlorophenoxy)propane-1,2-diol, BRN 2210845, AI3-24623, CHEBI:3642, MXOAEAUPQDYUQM-UHFFFAOYSA-N, MFCD00021990, Glycerol .alpha.-p-chlorophenyl ether, p-Chlorophenyl-.alpha.-glyceryl ether, NCGC00160584-01, 3-(4-Chlorophenoxy)propane-1,2-diol;3-(4-Chlorophenoxy)propane-1,2-diol, p-chlorophenyl a-glyceryl ether, AC1L1PCF, Maybridge1_000170, WLN: Q1YQ1OR DG, AC1Q3ON1, AC1Q7BR5, MixCom1_000324, 1, 3-(p-chlorophenoxy)-, DSSTox_CID_28954, DSSTox_RID_83219, DSSTox_GSID_49028, Oprea1_755443, SCHEMBL93836, 1, 3-(4-chlorophenoxy)-, 4-06-00-00831 (Beilstein Handbook Reference), CHEMBL388751, DTXSID0049028, CTK3J6648, NSC6401, HMS3604N15, 3-p-Chlorophenoxy-1,2-propanediol, ALBB-025796, NSC-6401, Tox21_113554, AC-266, SBB015061, 1-(p-chlorophenoxy)-2,3-propanediol, AKOS005203039, DB00856, HS-0080, MCULE-1985229890, 3-(p-chlorophenoxy)-propane-1,2 diol, AN-15991, BC209796, BP-20218, CAS-104-29-0, ST075161, SY058281, AB0012627, LS-120277, RT-003149, FT-0623711, MFCD00021990 (97%), C07928, J10030, M-2207, 1,2-Propanediol, 3-(4-chlorophenoxy)- (9CI), SR-01000944964, J-001139, SR-01000944964-1, I14-52806, Z1348239594, Maolate, chlorphenesin-, UNII-I670DAL4SZ, I670DAL4SZ, C9-H11-Cl-O3, CID7697, p-chlorophenyl alpha-glyceryl ether, AR-1K9771, ZINC00129343, ACN-054199, CS-O-06279, 3-(p-chlorophenoxy)-propane-1,2-diol, P-chlorophenyl-alpha-glyceryl ether (same as chlorphenesin), 3-(4-Chlorophenoxy)-1,2-propanediol, 98% - 100G 100g, 73100-87-5,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	202.634g/mol
Monoisotopic Mass	202.04g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number