AG003MSF

42454-06-8 | 5-Hydroxy-2-nitrobenzaldehyde

AG003MSF

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CAS Number	42454-06-8
Catalog Number	AG003MSF(AGN-PC-0JKQQA)
Chemical Name	5-Hydroxy-2-nitrobenzaldehyde
EC Number	255-832-9
IUPAC Name	5-hydroxy-2-nitrobenzaldehyde
InChI	InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H
InChI Key	XLYPHUGUKGMURE-UHFFFAOYSA-N
MDL Number	MFCD00007332
Molecular Formula	C7H5NO4
Molecular Weight	167.1189
NSC Number	93899
SMILES	C1=C(O)C=CC(=C1C=O)[N+](=O)[O-]
UNII	VA926Z93IF
Synonyms	5-Hydroxy-2-nitrobenzaldehyde, 42454-06-8, 3-Formyl-4-nitrophenol, 6-Nitro-3-hydroxybenzaldehyde, 5-hydroxy-2-nitro-benzaldehyde, 2-Nitro-5-hydroxybenzaldehyde, BENZALDEHYDE, 5-HYDROXY-2-NITRO-, UNII-VA926Z93IF, EINECS 255-832-9, NSC 93899, BRN 1910196, VA926Z93IF, XLYPHUGUKGMURE-UHFFFAOYSA-N, 5-Hydroxy-2-nitrobenzaldehyde, 98%, MFCD00007332, NSC93899, PubChem8205, ACMC-1AN3L, AC1Q78KH, 4-08-00-00250 (Beilstein Handbook Reference), KSC235S6R, 3-hydroxy-6-nitrobenzaldehyde, 6-nitro-3-hydroxy benzaldhyde, 2-Formyl-4-hydroxynitrobenzene, AC1L21A4, SCHEMBL1014901, DTXSID8022290, CTK1D5968, ACT00242, EBD17391, KS-00000LD6, ANW-29813, BBL104268, CH-156, NSC-93899, SBB063278, STL558475, ZINC34766253, AKOS000103913, AC-5095, AS06660, CS-W001068, MCULE-2966837418, PS-3960, RP22976, RTC-061312, TRA0067415, HYDROXY(5-)-2-NITROBENZALDEHYDE, AJ-90095, AK-25959, AN-11319, BR-25959, CJ-18562, LS-25078, SC-04431, AB0011796, AB1003671, DB-012656, ST2418791, TC-061312, 4CH-014153, AM20050242, FT-0620468, ST50826735, A-2063, 454H068, I01-1111, J-517601, 5-Hydroxy-2-nitrobenzaldehyde, purum, >=98.0% (HPLC), InChI=1/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10, null, C7H5NO4, C7-H5-N-O4, CID39211, ACN-037038, A6929, H1039, 5-Hydroxy-2-nitrobenzaldehyde, 98% - 1G 1g,

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	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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