4,5-Difluoro-2-methylbenzonitrile - CAS 1003708-82-4

Catalog:	BB000203
Product Name:	4,5-Difluoro-2-methylbenzonitrile
CAS:	1003708-82-4
Synonyms:	4,5-difluoro-2-methylbenzonitrile; 4,5-difluoro-2-methylbenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	4,5-difluoro-2-methylbenzonitrile
Description:	4,5-Difluoro-2-methylbenzonitrile (CAS# 1003708-82-4) is a useful research chemical.
Molecular Weight:	153.13
Molecular Formula:	C8H5F2N
Canonical SMILES:	CC1=CC(=C(C=C1C#N)F)F
InChI:	InChI=1S/C8H5F2N/c1-5-2-7(9)8(10)3-6(5)4-11/h2-3H,1H3
InChI Key:	NEUWJWYFYDQUMY-UHFFFAOYSA-N
Boiling Point:	214.288 °C at 760 mmHg
Density:	1.217 g/cm³
Appearance:	W hite powder
Storage:	Sealed in dry, Room Temperature
LogP:	2.14488

Publication Number	Title	Priority Date
WO-2018089433-A1	PHENYL mTORC INHIBITORS AND USES THEREOF	20161108
WO-2018089493-A1	PYRROLE mTORC INHIBITORS AND USES THEREOF	20161108
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EP-2729468-A2	Tricyclic heterocycles useful as dipeptidyl peptidase-iv inhibitors	20110705

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

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Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.03900549
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	153.03900549
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2