AG007D5F

34662-29-8 | 3-Chloro-4-nitrobenzonitrile

AG007D5F

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CAS Number	34662-29-8
Catalog Number	AG007D5F(AGN-PC-0035S5)
Chemical Name	3-Chloro-4-nitrobenzonitrile
IUPAC Name	3-chloro-4-nitrobenzonitrile
InChI	InChI=1S/C7H3ClN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
InChI Key	PAIMPYHIOHKXAT-UHFFFAOYSA-N
MDL Number	MFCD02317167
Molecular Formula	C7H3ClN2O2
Molecular Weight	182.5639
SMILES	N#CC1=CC=C([N+]([O-])=O)C(Cl)=C1
Synonyms	3-CHLORO-4-NITROBENZONITRILE, 34662-29-8, Benzonitrile, 3-chloro-4-nitro-, SCHEMBL6387, 4-nitro-3-chlorobenzonitrile, 3-chloro-4-nitro-benzonitrile, CTK1B7527, KS-00000RWB, 1-chloro-5-cyano-2-nitrobenzene, DTXSID80566311, PAIMPYHIOHKXAT-UHFFFAOYSA-N, MFCD02317167, ZINC34413757, AKOS022174825, CS-W019043, DS-7525, AC-28540, AJ-88415, AK142385, AM807293, AB0000195, ST2405023, 4CH-018818, Z-7968,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.988g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.563g/mol
Monoisotopic Mass	181.988g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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