Methyl 3-Methyl-4-Nitrobenzoate

CAT: 1299-RG-M200875-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RG-M200875-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

24078-21-5

Synonyms

Methyl 3-methyl-4-nitrobenzoate

Molecular Formula

C9H9NO4

Molecular Weight

195.17

Product Name Synonym

Methyl 3-methyl-4-nitrobenzoate

Chemical Information

Methyl 3-methyl-4-nitrobenzoate

CAS Number	24078-21-5
PubChem CID	260927
IUPAC Name	methyl 3-methyl-4-nitrobenzoate
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	2.7
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	235

SMILES

CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO4/c1-6-5-7(9(11)14-2)3-4-8(6)10(12)13/h3-5H,1-2H3

InChIKey

IEFONJKJLZFGKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24078-21-5

CID: 260927

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-M062900-01	Methyl 3-Hydrazineyl-4-Nitrobenzoate
RG-F011310-01	Methyl 3-Fluoro-4-Nitrobenzoate
RG-M200873-01	Methyl 2-Methyl-4-Nitrobenzoate
RG-M200876-01	Methyl 3-Methyl-2-Nitrobenzoate
RG-M052095-01	Methyl 2-Methyl-3-Nitrobenzoate
RG-E140480-01	Methyl 2-hydroxy-4-nitrobenzoate
RG-A260129-01	Methyl 2- (Azidocarbonyl) -3-Nitrobenzoate
RG-A262168-01	Methyl 2- (Chlorocarbonyl) -3-Nitrobenzoate
RG-M200874-01	Methyl 2-Methyl-6-Nitrobenzoate
RG-A262930-01	Butyl 4-Nitrobenzoate

Catalog	Name
sc-263585A	Methyl 3-methyl-4-nitrobenzoate
OR110363	Methyl 4-methyl-3-nitrobenzoate
TRC-M339056-100MG	Methyl 4-Methyl-3-nitrobenzoate-D6
TRC-M339643-100MG	Methyl 4-Nitrobenzoate
abx182527-01	Methyl 2-methyl-4-nitrobenzoate
OR79285-01	Methyl 3-nitrobenzoate
YIA51908	Methyl 3-bromo-4-methyl-5-nitrobenzoate
sc-353883	Methyl 3-fluoro-4-methyl-5-nitrobenzoate
PC1003627	Methyl 4-fluoro-3-methyl-5-nitrobenzoate
OR20032	Methyl 4-iodo-2-methyl-3-nitrobenzoate