AG005O7Z

72005-84-6 | 2-Methyl-4-nitrobenzaldehyde

AG005O7Z

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CAS Number	72005-84-6
Catalog Number	AG005O7Z(AGN-PC-0NJRSM)
Chemical Name	2-Methyl-4-nitrobenzaldehyde
IUPAC Name	2-methyl-4-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO3/c1-6-4-8(9(11)12)3-2-7(6)5-10/h2-5H,1H3
InChI Key	ZYHLWYCYBVEMBK-UHFFFAOYSA-N
MDL Number	MFCD12755933
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
SMILES	N(=O)(=O)c1cc(C)c(cc1)C=O
Synonyms	2-Methyl-4-nitrobenzaldehyde, 72005-84-6, Benzaldehyde,2-methyl-4-nitro-, 2-Methyl-4-nitro-benzaldehyde, BENZALDEHYDE, 2-METHYL-4-NITRO-, SCHEMBL1858387, CTK5D5366, DTXSID60505824, ZYHLWYCYBVEMBK-UHFFFAOYSA-N, KS-00000TA2, 5585AJ, MFCD12755933, ZINC39133543, AKOS025404411, AB65917, DS-9788, NE29177, AK187629, SY025977, TX-011080, FT-0687017, MFCD12755933 (95%), C8H7NO3,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.148g/mol
Monoisotopic Mass	165.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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