AG00AE9P

172921-32-3 | 2,5-Difluoro-4-nitrobenzonitrile

AG00AE9P

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CAS Number	172921-32-3
Catalog Number	AG00AE9P(AGN-PC-0WD6XH)
Chemical Name	2,5-Difluoro-4-nitrobenzonitrile
IUPAC Name	2,5-difluoro-4-nitrobenzonitrile
InChI	InChI=1S/C7H2F2N2O2/c8-5-2-7(11(12)13)6(9)1-4(5)3-10/h1-2H
InChI Key	HKKHVLVXHJDVQE-UHFFFAOYSA-N
MDL Number	MFCD13185567
Molecular Formula	C7H2F2N2O2
Molecular Weight	184.0998
SMILES	N#CC1=CC(F)=C([N+]([O-])=O)C=C1F
Synonyms	2,5-difluoro-4-nitrobenzonitrile, 172921-32-3, SCHEMBL4614436, HKKHVLVXHJDVQE-UHFFFAOYSA-N, 2,5-Difluoro-4-nitro-benzonitrile, MFCD13185567, ZINC95829180, AKOS025287143, DS-9243, AK167203, SC-24289,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.008g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.102g/mol
Monoisotopic Mass	184.008g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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