AG00IAEX

58588-64-0 | Benzonitrile, 3-chloro-4-formyl-

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CAS Number	58588-64-0
Catalog Number	AG00IAEX(AGN-PC-0NIEEI)
Chemical Name	Benzonitrile, 3-chloro-4-formyl-
IUPAC Name	3-chloro-4-formylbenzonitrile
InChI	InChI=1S/C8H4ClNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,5H
InChI Key	UGRNLUNAHZKZTG-UHFFFAOYSA-N
MDL Number	MFCD11036376
Molecular Formula	C8H4ClNO
Molecular Weight	165.5765
SMILES	N#CC1=CC=C(C=O)C(Cl)=C1
Synonyms	3-chloro-4-formylbenzonitrile, 58588-64-0, 2-chloro-4-cyanobenzaldehyde, Benzonitrile, 3-chloro-4-formyl-, 3-chloro-4-formyl-benzonitrile, SCHEMBL2460782, UGRNLUNAHZKZTG-UHFFFAOYSA-N, MFCD11036376, ZINC39202449, AKOS006306779, AJ-99005, AK148662, AS-46252, DB-072504, FT-0746859, S01-0857,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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