AG00IGQL

915095-94-2 | (S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran

AG00IGQL

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CAS Number	915095-94-2
Catalog Number	AG00IGQL(AGN-PC-0WAI1N)
Chemical Name	(S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran
EC Number	619-599-0
IUPAC Name	(3S)-3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]oxolane
InChI	InChI=1S/C17H16ClIO2/c18-17-6-3-14(19)10-13(17)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m0/s1
InChI Key	YLUHNGIWRCCQMQ-INIZCTEOSA-N
MDL Number	MFCD28098707
Molecular Formula	C17H16ClIO2
Molecular Weight	414.6652
SMILES	ClC1=C(C=C(C=C1)I)CC1=CC=C(O[C@@H]2COCC2)C=C1
Synonyms	915095-94-2, (S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran, (3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan, (3S)-3-{4-[(2-chloro-5-iodophenyl)methyl]phenoxy}oxolane, (s)-4-iodo-1-chloro-2-(4-tetrahydrofuran-3-yloxy-benzyl)-benzene, (3S)-3-(4-(2-chloro-5-iodobenzyl)phenoxy)tetrahydrofuran, (3S)-3-[4-(2-Chloro-5-iodobenzyl)phenoxy]tetrahydrofuran, AK160979, SCHEMBL1647749, BCP11842, MFCD28098707, ZINC34775235, AKOS024462514, DS-9823, SB17699, KS-0000066F, AJ-90128, BC600268, SC-93909, AX8293989, CS-0010416, ST24036092, (S)-4-iodo-1-chloro-2-(4-tetrahydrofuran-3-yloxy-b, (S)-3-(4-(2-chloro-5-iodobenzyl)phenoxy)-tetrahydrofuran, (S)-3-[4-(2-Chlor-5-iod-benzyl)-phenoxy]tetrahydrofuran, 3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan, YLUHNGIWRCCQMQ-INIZCTEOSA-N, ACN-037227, CID15941210, EC 619-599-0, 3-[4-[(2-chloro-5-iodo-phenyl)methyl]phenoxy]oxolane, (S)-3-(4-(2-Chlor-5-iod-benzyl)-phenoxy)-tetrahydro-furan, 3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan,

Complexity	320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	413.988g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	414.667g/mol
Monoisotopic Mass	413.988g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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