AG00ICIP

744-45-6 | 1,3-Benzenedicarboxylic acid, diphenyl ester

AG00ICIP

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CAS Number	744-45-6
Catalog Number	AG00ICIP(AGN-PC-0JL997)
Chemical Name	1,3-Benzenedicarboxylic acid, diphenyl ester
EC Number	212-014-6
IUPAC Name	diphenyl benzene-1,3-dicarboxylate
InChI	InChI=1S/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H
InChI Key	FHESUNXRPBHDQM-UHFFFAOYSA-N
MDL Number	MFCD00046051
Molecular Formula	C20H14O4
Molecular Weight	318.3228
SMILES	O=C(OC1=CC=CC=C1)C2=CC=CC(C(OC3=CC=CC=C3)=O)=C2
UNII	WH4W31QIJ8
Synonyms	Diphenyl isophthalate, 744-45-6, Diphenyl m-phthalate, diphenyl benzene-1,3-dicarboxylate, DIPHENYLISOPHTHALATE, UNII-WH4W31QIJ8, 1,3-Benzenedicarboxylic acid, diphenyl ester, Isophthalic Acid Diphenyl Ester, Isophthalic acid, diphenyl ester, WH4W31QIJ8, FHESUNXRPBHDQM-UHFFFAOYSA-N, 1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester, NSC631622, NCGC00164168-02, Q-201009, phenyl 3-(phenoxycarbonyl)benzoate, EINECS 212-014-6, NSC 16430, Diphenyl-iso-phthalate, ACMC-209ous, AC1L2CN8, AC1Q61LE, Diphenyl isophthalate, 99%, DSSTox_CID_17752, DSSTox_RID_79375, DSSTox_GSID_37752, SCHEMBL69684, CHEMBL1879622, DTXSID8037752, FHESUNXRPBHDQM-UHFFFAOYSA-, Isophthalic acid, bis-phenyl ester, ZINC395588, KS-000017HS, NSC16430, Tox21_400023, ANW-36482, MFCD00046051, NSC-16430, SBB068655, AKOS015839110, MCULE-1714657601, NSC-631622, Isophthalic acid, diphenyl ester (8CI), 1,3-diphenyl benzene-1,3-dicarboxylate, NCGC00164168-01, NCGC00164168-03, AC-22304, AJ-21528, AK-89655, AN-47431, AS-48058, CAS-744-45-6, ST097247, SY023548, ZB012547, AX8041988, DB-029676, ST2419257, TL8005125, TR-024065, FT-0084664, FT-0601953, I0416, MFCD00046051 (95%), I14-8022, InChI=1/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H, 1, diphenyl ester, CID69779, AR-1I6025, p-Methoxybenzylidene p-phenylazoaniline, C20-H14-O4, Diphenyl isophthalate, 99% - 25G 25g, 7791-26-6,

Complexity	383
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	318.089g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	318.328g/mol
Monoisotopic Mass	318.089g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number