AG000SVV

126534-31-4 | Benzenemethanol, 2,4-dichloro-α-(chloromethyl)-, (αS)-

AG000SVV

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CAS Number	126534-31-4
Catalog Number	AG000SVV(AGN-PC-0PIB83)
Chemical Name	Benzenemethanol, 2,4-dichloro-α-(chloromethyl)-, (αS)-
IUPAC Name	(1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol
InChI	InChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2/t8-/m1/s1
InChI Key	XHEPANNURIQWRM-MRVPVSSYSA-N
MDL Number	MFCD07776655
Molecular Formula	C8H7Cl3O
Molecular Weight	225.4996
SMILES	ClC1=CC=C([C@H](O)CCl)C(Cl)=C1
Synonyms	126534-31-4, (S)-2-CHLORO-1-(2,4-DICHLOROPHENYL)ETHANOL, (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol, (1S)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol, AC1NT5GS, Benzenemethanol,2,4-dichloro-a-(chloromethyl)-,(aS)-, AC1Q59Q6, SCHEMBL6212874, CTK4B5218, XHEPANNURIQWRM-MRVPVSSYSA-N, ZINC2140830, MFCD07776655, AKOS030527380, NE43396, AJ-33527, CJ-32872, FT-0696616, EN300-87665, (S)-2-Chloro-(2',4'-dichlorophenyl)-1-ethanol, (S)-2,4-dichloro-a-(chloromethyl)-benzenemethanol, (S)-2,4-Dichloro-alpha-(chloromethyl)-benzenemethanol, (S)-alpha-(Chloromethyl)-2,4-dichlorobenzenemethanol, Benzenemethanol, 2,4-dichloro-alpha-(chloromethyl)-, (alphaS)-, ZINC02140830, CB11976, CID5324672, 229334-55-8,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	223.956g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.493g/mol
Monoisotopic Mass	223.956g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
Signal Words	warning
UN Code

Certificate of Analysis

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