AG0006UL

1021871-35-1 | Benzonitrile, 3-chloro-5-(hydroxymethyl)-

AG0006UL

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CAS Number	1021871-35-1
Catalog Number	AG0006UL(AGN-PC-0CAYT1)
Chemical Name	Benzonitrile, 3-chloro-5-(hydroxymethyl)-
IUPAC Name	3-chloro-5-(hydroxymethyl)benzonitrile
InChI	InChI=1S/C8H6ClNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2
InChI Key	XNOWXYQLTYKTNC-UHFFFAOYSA-N
MDL Number	MFCD18392447
Molecular Formula	C8H6ClNO
Molecular Weight	167.5923
SMILES	N#CC1=CC(CO)=CC(Cl)=C1
Synonyms	3-chloro-5-(hydroxymethyl)benzonitrile, 1021871-35-1, 3-CHLORO-5-CYANOBENZYL ALCOHOL, Benzonitrile, 3-chloro-5-(hydroxymethyl)-, SCHEMBL2160824, DTXSID60729149, XNOWXYQLTYKTNC-UHFFFAOYSA-N, 5852AJ, CL8714, MFCD18392447, ZINC91692991, 3-Chloro-5-hydroxymethyl-benzonitrile, AKOS025402594, 5-chloro-3-(hydroxymethyl)benzonitrile, CS-W000627, DS-8213, KS-0000092U, AC-29803, AK173053, DA-48320, SC-66458, SY028298, FT-0759599, MFCD18392447 (95%), X-3237, C8H6ClNO,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.014g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.592g/mol
Monoisotopic Mass	167.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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