AG003LI5

3011-34-5 | 4-Hydroxy-3-Nitrobenzaldehyde

AG003LI5

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CAS Number	3011-34-5
Catalog Number	AG003LI5(AGN-PC-0JKDX4)
Chemical Name	4-Hydroxy-3-Nitrobenzaldehyde
EC Number	221-141-6
IUPAC Name	4-hydroxy-3-nitrobenzaldehyde
InChI	InChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
InChI Key	YTHJCZRFJGXPTL-UHFFFAOYSA-N
MDL Number	MFCD00007117
Molecular Formula	C7H5NO4
Molecular Weight	167.1189
NSC Number	138267
SMILES	O=CC1=CC=C(O)C([N+]([O-])=O)=C1
Synonyms	4-hydroxy-3-nitrobenzaldehyde, 4-Hydroxy-3-nitrobenzaldehyde, 3011-34-5, Benzaldehyde, 4-hydroxy-3-nitro-, 3-nitro-4-hydroxybenzaldehyde, MFCD00007117, CHEMBL378361, 4-FORMYL-2-NITROPHENOL, 4-hydroxy-3-nitro-benzaldehyde, YTHJCZRFJGXPTL-UHFFFAOYSA-N, 4-Hydroxy-3-nitrobenzaldehyde, 97%, EINECS 221-141-6, NSC138267, NSC 138267, PubChem8135, ACMC-1CJNU, AC1L2BHN, 4-hydroxy-3-nitrobenzaldeyde, KSC223K5F, SCHEMBL244093, 4-hydroxyl-3-nitrobenzaldehyde, 4-Hydroxy-3-nitro benzaldehyde, Jsp005694, CTK1C3552, KS-00000AYN, DTXSID80184195, ZINC562702, AC1Q7868, ACT01022, ANW-26780, BBL023246, BDBM50177410, SBB008631, STK397481, AKOS000120628, AC-2992, CS-W019280, MCULE-5236194628, NSC-138267, PS-6187, RP22977, RTR-012979, TRA0035678, AJ-23500, AK-25735, AN-13447, BC225482, BR-25735, SC-03265, SY003511, AB0011619, AB1004132, DB-014481, TR-012979, FT-0618645, ST24032803, ST45028064, TL80073975, EN300-18187, M-2880, MFCD00007117 (97+%), 011H345, I01-0228, W-106955, InChI=1/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10, null, D03VZF, C7H5NO4, C7-H5-N-O4, CID18169, H0924, 4-Hydroxy-3-nitrobenzaldehyde, 97% - 100G 100g,

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	1.5

GHS Hazard and Precautionary Statements

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