AG00IAUU

61397-56-6 | 1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-,benzoate, (2R,4R)-rel-

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CAS Number	61397-56-6
Catalog Number	AG00IAUU(AGN-PC-0T0BJ0)
Chemical Name	1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-,benzoate, (2R,4R)-rel-
EC Number	262-765-9
IUPAC Name	[(2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
InChI	InChI=1S/C18H15BrCl2O4/c19-11-18(15-7-6-13(20)8-16(15)21)24-10-14(25-18)9-23-17(22)12-4-2-1-3-5-12/h1-8,14H,9-11H2/t14-,18-/m0/s1
InChI Key	OXUPOIXSQGXRGF-KSSFIOAISA-N
MDL Number	MFCD07370171
Molecular Formula	C18H15BrCl2O4
Molecular Weight	446.1193
SMILES	C1[C@@H](O[C@@](O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3
Synonyms	61397-56-6, cis-BBD, 61397-57-7, cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate, [(2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate, Cis-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate, AC1LR9TC, SCHEMBL9096638, ZINC1253773, MFCD07370171, AKOS015963350, AC-19910, AN-10835, C152, Cis -Bromobenzoate:Cis -[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate, (2R)-2beta-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4beta-methanol benzoate, (2R,4R)-rel-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol Benzoate, 1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-,benzoate, (2R,4R)-rel-, trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate, C18H15BrCl2O4, C18-H15-Br-Cl2-O4, OXUPOIXSQGXRGF-KSSFIOAISA-N, EINECS 262-765-9, CID1390983, BAS 00665648, 2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol, cis-Bromo-ester [cis-2-(2,4-Dichlorophenyl)-2-bromomethyl-4-(benzoyloxy)-methyl-1,3-dioxalane],

Complexity	460
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	443.953g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	446.118g/mol
Monoisotopic Mass	443.953g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

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

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