AG0076WM

39835-14-8 | 2-Hydroxy-4-nitrobenzonitrile

AG0076WM

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CAS Number	39835-14-8
Catalog Number	AG0076WM(AGN-PC-0JP8NA)
Chemical Name	2-Hydroxy-4-nitrobenzonitrile
IUPAC Name	2-hydroxy-4-nitrobenzonitrile
InChI	InChI=1S/C7H4N2O3/c8-4-5-1-2-6(9(11)12)3-7(5)10/h1-3,10H
InChI Key	DZNPHVPBCNZVGW-UHFFFAOYSA-N
MDL Number	MFCD02258875
Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
NSC Number	143981
SMILES	OC1=C(C=CC(=C1)[N+]([O-])=O)C#N
Synonyms	2-hydroxy-4-nitrobenzonitrile, 39835-14-8, 2-Cyano-5-nitrophenol, 2-Hydroxy-4-nitro-benzonitrile, Benzonitrile, 2-hydroxy-4-nitro-, 39035-14-8, NSC143981, PubChem7896, AC1Q4RFQ, AC1L64LC, 4-nitro-2-hydroxybenzonitrile, SCHEMBL361541, AMBZ0046, CTK1C6310, DZNPHVPBCNZVGW-UHFFFAOYSA-N, ACT12519, ZINC1727636, ANW-72537, CL9070, FCH919707, MFCD02258875, 4-nitro-2-oxidanyl-benzenecarbonitrile, AKOS006223876, 2-HYDROXY-4-NITRO BENZONITRILE, AM82830, MP-0007, NSC-143981, ACM39835148, AC-26136, AJ-31128, AK-35021, AS-46196, OR345333, SC-41473, AX8004260, DB-030858, ST2416957, TC-161282, 4CH-014085, FT-0701452, Z4701, A824761, C7H4N2O3, Benzonitrile,2-hydroxy-4-nitro-, AR-1E2426, CID286148, 40133-06-0,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.12g/mol
Monoisotopic Mass	164.022g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	89.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number