AG003L3H

89-68-9 | 4-Chloro-2-isopropyl-5-methylphenol

AG003L3H

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CAS Number	89-68-9
Catalog Number	AG003L3H(AGN-PC-0JK7UQ)
Chemical Name	4-Chloro-2-isopropyl-5-methylphenol
EC Number	201-930-1
IUPAC Name	4-chloro-5-methyl-2-propan-2-ylphenol
InChI	InChI=1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3
InChI Key	KFZXVMNBUMVKLN-UHFFFAOYSA-N
MDL Number	MFCD00002326
Molecular Formula	C10H13ClO
Molecular Weight	184.6626
SMILES	Cc1cc(c(cc1Cl)C(C)C)O
UNII	LJ25TI0CVT
Synonyms	Chlorothymol, 4-Chloro-2-isopropyl-5-methylphenol, 89-68-9, 6-Chlorothymol, 4-Chlorothymol, Chlorthymol, THYMOL, 6-CHLORO-, Phenol, 4-chloro-5-methyl-2-(1-methylethyl)-, Caswell No. 216, 4-Chloro-6-isopropyl-3-methylphenol, UNII-LJ25TI0CVT, 4-chloro-5-methyl-2-(propan-2-yl)phenol, 4-Chlor-2-isopropyl-5-methylphenol, EINECS 201-930-1, LJ25TI0CVT, 4-chloro-2-isopropyl-5-methyl-phenol, EPA Pesticide Chemical Code 080403, NSC 406261, BRN 2084453, AI3-00120, 4-Chloro-5-methyl-2-(1-methylethyl)phenol, KFZXVMNBUMVKLN-UHFFFAOYSA-N, MFCD00002326, 4-chloro-5-methyl-2-propan-2-ylphenol, NCGC00159384-02, NCGC00159384-04, DSSTox_CID_21547, DSSTox_RID_79774, DSSTox_GSID_41547, 6-chorothymol, CAS-89-68-9, 4-chloro-5-methyl-2-(methylethyl)phenol, Chlorothymol [NF], Chlorothymol [NF XII], Pioral (TN), MONOCHLOROTHYMOL, AC1L1NQJ, AC1Q1OHM, AC1Q3LRU, ACMC-209r2d, 4-06-00-03344 (Beilstein Handbook Reference), BIDD:ER0220, SCHEMBL159122, Caniprevent [veterinary] (TN), ZINC1130, CHEMBL1441646, DTXSID2041547, CTK8B2634, NSC4964, NSC-4964, Tox21_111622, Tox21_300909, ANW-39347, NSC406261, SBB061280, STK701337, 6-iso-propyl-3-methyl-p-chlorophenol, AKOS000120533, Tox21_111622_1, MCULE-1376914978, NE10172, NSC-406261, VZ35395, KS-0000155Q, NCGC00159384-03, NCGC00159384-05, NCGC00254813-01, AJ-07967, AN-24172, ZB000255, 4-Chloro-2-isopropyl-5-methylphenol, 99%, LS-153804, TR-028149, FT-0618272, ST50307712, D07681, 4-Chloro-2-isopropyl-5-methylphenol(chlorothymol), SR-01000944417, SR-01000944417-1, I14-51270, Z1317839152, InChI=1/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H, 6-chlorthymol, 6- chlorothymol, C10H13ClO, C10-H13-Cl-O, CID6982, AR-1H1531, c0294, PCI 34051, 950762-95-5, 95399-28-3,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.065g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.663g/mol
Monoisotopic Mass	184.065g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H335-H315-H319
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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