AG0028ZP

20357-22-6 | Benzaldehyde, 4-methyl-2-nitro-

AG0028ZP

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CAS Number	20357-22-6
Catalog Number	AG0028ZP(AGN-PC-0JTEO1)
Chemical Name	Benzaldehyde, 4-methyl-2-nitro-
IUPAC Name	4-methyl-2-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO3/c1-6-2-3-7(5-10)8(4-6)9(11)12/h2-5H,1H3
InChI Key	FDYADQPZUDULNK-UHFFFAOYSA-N
MDL Number	MFCD08669895
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
SMILES	CC1=CC(=C(C=O)C=C1)[N+]([O-])=O
Synonyms	4-Methyl-2-nitrobenzaldehyde, 20357-22-6, Benzaldehyde, 4-methyl-2-nitro-, 2-nitro-4-methylbenzaldehyde, FDYADQPZUDULNK-UHFFFAOYSA-N, AK-79106, p-Tolualdehyde, 2-nitro-, AC1LBWZ3, 4-Methyl-2-nitro-benzaldehyde, SCHEMBL3017185, CTK1A1322, DTXSID60343546, KS-00000O6T, 0431AB, ANW-57530, FCH832951, MFCD08669895, ZINC32189549, AKOS005215975, AB46097, AS05609, CM12002, CS-W022211, ACM20357226, AJ-84946, AS-10040, SC-36127, AB0070222, AX8098772, ST2405878, TC-146275, 4CH-017145, FT-0687009, W-2440, 357M226, C8H7NO3, CID590446,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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