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

Catalog:	BB034520
Product Name:	2-Methyl-4-nitrobenzaldehyde
CAS:	72005-84-6
Synonyms:	2-methyl-4-nitrobenzaldehyde; 2-methyl-4-nitrobenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methyl-4-nitrobenzaldehyde
Description:	2-Methyl-4-nitrobenzaldehyde (CAS# 72005-84-6) is a useful research chemical.
Molecular Weight:	165.15
Molecular Formula:	C8H7NO3
Canonical SMILES:	CC1=C(C=CC(=C1)[N+](=O)[O-])C=O
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
LogP:	2.23890

Publication Number	Title	Priority Date
CN-109608406-A	A kind of nitro alkyl quinoxaline or derivatives thereof, aminoalkyl quinoxaline or derivatives thereof and its synthetic method	20190128
WO-2020155925-A1	Nitroalkyl quinoxaline or derivative thereof, aminoalkyl quinoxaline or derivative thereof, and synthesis method therefor	20190128
WO-2020140050-A1	N-(4-(oxazol-5-yl)phenyl)chromane-3-carboxamide derivatives and related compounds as stimulators of the production of retinal precursor cells for the treatment of neuroretinal diseases	20181228
CN-113227086-A	N- (4- (oxazol-5-yl) phenyl) chroman-3-carboxamide derivatives and related compounds as stimulators of production of retinal precursor cells for the treatment of neuroretinal diseases	20181228
KR-20210110652-A	Compounds for use as therapeutically active substances in the treatment and/or prophylaxis of neuroretinal diseases	20181228

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Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.042593085
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6