2-Chloro-4-methylbenzonitrile - CAS 21423-84-7

Catalog:	BB016833
Product Name:	2-Chloro-4-methylbenzonitrile
CAS:	21423-84-7
Synonyms:	2-chloro-4-methylbenzonitrile; 2-chloro-4-methylbenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-methylbenzonitrile
Description:	2-Chloro-4-methylbenzonitrile (CAS# 21423-84-7) is a useful research chemical.
Molecular Weight:	151.59
Molecular Formula:	C8H6ClN
Canonical SMILES:	CC1=CC(=C(C=C1)C#N)Cl
InChI:	InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
InChI Key:	LKWQNMIDLFGETG-UHFFFAOYSA-N
Boiling Point:	269.7 °C at 760 mmHg
Density:	1.19 g/cm³
MDL:	MFCD03094672
LogP:	2.52008

Publication Number	Title	Priority Date
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Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.0188769
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.0188769
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6