AG0085B4

105191-41-1 | 4-Chloro-3-formylbenzonitrile

AG0085B4

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CAS Number	105191-41-1
Catalog Number	AG0085B4(AGN-PC-00N3U1)
Chemical Name	4-Chloro-3-formylbenzonitrile
IUPAC Name	4-chloro-3-formylbenzonitrile
InChI	InChI=1S/C8H4ClNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H
InChI Key	JVRHVSUFKIQVFN-UHFFFAOYSA-N
MDL Number	MFCD11035756
Molecular Formula	C8H4ClNO
Molecular Weight	165.5765
SMILES	ClC1=C(C=C(C#N)C=C1)C=O
Synonyms	4-chloro-3-formylbenzonitrile, 105191-41-1, 2-Chloro-5-cyanobenzaldehyde, 4-CHLORO-3-FORMYL-BENZONITRILE, Benzonitrile, 4-chloro-3-formyl-, PubChem16870, ACMC-1C3YZ, KSC494G3D, SCHEMBL1798281, CTK3J4331, Benzonitrile,4-chloro-3-formyl-, DTXSID20544012, JVRHVSUFKIQVFN-UHFFFAOYSA-N, KS-00000O1W, 4-chloro-3-formylbenzenecarbonitrile, ANW-51167, CL8269, MFCD11035756, ZINC15022230, AKOS015850050, BENZONITRILE,4-CHLORO-3-FORMYL, GS-4329, RP02437, RTR-001085, AJ-67119, AK-27973, BR-27973, CJ-15063, SC-54514, 4-chloranyl-3-methanoyl-benzenecarbonitrile, AB0034567, ST2405719, TR-001085, 4CH-017766, AM20020149, FT-0645711, X8743, S-1849, A801161, W-204549, I14-37091, C8H4ClNO,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.998g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.576g/mol
Monoisotopic Mass	164.998g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number