Ethyl 2-Methyl-4-nitrobenzoate

CAT: 0127-OR1003094-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1003094-01Size:250 mg

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CAS Number

62621-10-7

MDL Number

MFCD11111003

Purity

95%

Smiles

CCOC(=O)c1ccc(cc1C)[N+]([O-])=O

Chemical Information

Ethyl 2-Methyl-4-nitrobenzoate

CAS Number	62621-10-7
PubChem CID	21345698
IUPAC Name	ethyl 2-methyl-4-nitrobenzoate
Molecular Formula	C10H11NO4
Molecular Weight	209.20
XLogP	2.3
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	248

SMILES

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C10H11NO4/c1-3-15-10(12)9-5-4-8(11(13)14)6-7(9)2/h4-6H,3H2,1-2H3

InChIKey

RMCICYWZZMDLLO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62621-10-7

CID: 21345698

Formula: C10H11NO4

MW: 209.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.20
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	209.06880783
Monoisotopic Mass	209.06880783
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	248
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
OR110364-01	Ethyl 4-methyl-3-nitrobenzoate
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OR110420-01	Ethyl 2-methyl-3-nitrobenzoate
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OR52185-01	Ethyl 4-nitrobenzoate
OR80429-01	Ethyl 2-chloro-4-nitrobenzoate
OR96022-01	Ethyl 2-bromo-4-nitrobenzoate
OR1043043-01	Ethyl 2-hydroxy-4-nitrobenzoate
PC101726-01	Ethyl 4-fluoro-2-nitrobenzoate

Catalog	Name
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