AG00392I

56961-76-3 | 3,4,5-trichlorobenzaldehyde

AG00392I

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CAS Number	56961-76-3
Catalog Number	AG00392I(AGN-PC-000GAD)
Chemical Name	3,4,5-trichlorobenzaldehyde
IUPAC Name	3,4,5-trichlorobenzaldehyde
InChI	InChI=1S/C7H3Cl3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChI Key	GHMOHPITLLRUAC-UHFFFAOYSA-N
MDL Number	MFCD18400105
Molecular Formula	C7H3Cl3O
Molecular Weight	209.4571
SMILES	ClC=1C=C(C=O)C=C(C1Cl)Cl
Synonyms	3,4,5-trichlorobenzaldehyde, 56961-76-3, Benzaldehyde, 3,4,5-trichloro-, AK167054, SCHEMBL1312098, KS-00000SDO, GHMOHPITLLRUAC-UHFFFAOYSA-N, KM3756, MFCD18400105, ZINC34227241, AKOS025286040, DS-9213, FCH1373078,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.925g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.45g/mol
Monoisotopic Mass	207.925g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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