AG0039S1

1205513-88-7 | 3-Chloro-5-formylbenzonitrile

AG0039S1

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CAS Number	1205513-88-7
Catalog Number	AG0039S1(AGN-PC-0WD4BW)
Chemical Name	3-Chloro-5-formylbenzonitrile
IUPAC Name	3-chloro-5-formylbenzonitrile
InChI	InChI=1S/C8H4ClNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,5H
InChI Key	WZUIHJLIAGZINI-UHFFFAOYSA-N
MDL Number	MFCD18392412
Molecular Formula	C8H4ClNO
Molecular Weight	165.5765
SMILES	N#CC1=CC(C=O)=CC(Cl)=C1
Synonyms	3-Chloro-5-formylbenzonitrile, 1205513-88-7, 3-Cyano-5-chlorobenzaldehyde, 5-chloro-3-formylbenzonitrile, SCHEMBL2160541, 3-Chloro-5-formyl-benzonitrile, DTXSID00729148, WZUIHJLIAGZINI-UHFFFAOYSA-N, 3-CHLORO-5-CYANOBENZALDEHYDE, CL8321, MFCD18392412, ZINC95080246, AB75551, FCH1191042, AS-46017, AB0087419, AJ-132054, AX8267143, X-2457,

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	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

Lot Number