AG00I9FJ

5274-70-4 | 3-Nitrosalicylaldehyde

AG00I9FJ

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CAS Number	5274-70-4
Catalog Number	AG00I9FJ(AGN-PC-0WA8WQ)
Chemical Name	3-Nitrosalicylaldehyde
IUPAC Name	2-hydroxy-3-nitrobenzaldehyde
InChI	InChI=1S/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H
InChI Key	NUGOTBXFVWXVTE-UHFFFAOYSA-N
MDL Number	MFCD00041874
Molecular Formula	C7H5NO4
Molecular Weight	167.1189
NSC Number	38026
SMILES	OC1=C(C=O)C=CC=C1[N+]([O-])=O
Synonyms	2-Hydroxy-3-nitrobenzaldehyde, 3-Nitrosalicylaldehyde, 5274-70-4, Salicylaldehyde, 3-nitro-, Benzaldehyde, 2-hydroxy-3-nitro-, 3-Nitro-2-hydroxybenzaldehyde, MFCD00041874, NUGOTBXFVWXVTE-UHFFFAOYSA-N, EN300-27834, AE-562/40168058, NSC38026, 3-nitrosalicaldehyde, EINECS 226-098-7, NSC 38026, PubChem7773, AC1Q1GXB, 2-hydroxy-nitrobenzaldehyde, ACMC-209l1g, AC1L2WA4, 3-NITROSALICYLAIDEHYDE, Benzaldehyde, 2-hydroxynitro-, SCHEMBL311131, AC1Q788W, CHEMBL3660363, DTXSID8063753, ASIS-0026, CTK1G5039, NUGOTBXFVWXVTE-UHFFFAOYSA-, BDBM111030, SP456, ANW-31538, BBL023464, CN-168, NSC-38026, SBB023884, STK350936, ZINC49942704, 2-Hydroxy-3-nitrobenzaldehyde, 98%, AKOS000113603, AKOS015922188, ACM5274704, CHM0023975, FCH1112998, MCULE-8609111278, AK-89393, BP-13096, CC-10882, EN001301, OR322457, SC-05062, SY026438, AB1010143, AJ-111512, AX8004457, DB-021173, TC-120283, FT-0616265, N0823, ST24040672, ST45123421, T7934, KS-00001766, 274N704, C-04860, I01-2892, US8614253, .3-61, InChI=1/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H, 51294-09-8, null, C7H5NO4, C7-H5-N-O4, CID78934, AR-1L3950, ACN-030430, 2-Hydroxy-3-nitrobenzaldehyde, 98% - 1G 1g, 5388-40-9,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.12g/mol
Monoisotopic Mass	167.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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