Methyl 5-formyl-2-nitrobenzoate

CAT: 1266-JH918105Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH918105Size:1 Each

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CAS Number

133719-04-7

Molecular Formula

C9H7NO5

Molecular Weight

209.16

Chemical Information

Methyl 5-formyl-2-nitrobenzoate

CAS Number	133719-04-7
PubChem CID	10512587
IUPAC Name	methyl 5-formyl-2-nitrobenzoate
Molecular Formula	C9H7NO5
Molecular Weight	209.16
XLogP	1.1
Topological Polar Surface Area	89.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	272

SMILES

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

InChI

InChI=1S/C9H7NO5/c1-15-9(12)7-4-6(5-11)2-3-8(7)10(13)14/h2-5H,1H3

InChIKey

YQEPPMMIJZGITI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133719-04-7

CID: 10512587

Formula: C9H7NO5

MW: 209.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.16
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	209.03242232
Monoisotopic Mass	209.03242232
Topological Polar Surface Area	89.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	272
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
JH707715	Methyl 2-methyl-3-nitrobenzoate
JH140542	Methyl 3- (chloromethyl) -5-nitrobenzoate
JH918768	Methyl 4-methanesulfonyl-2-nitrobenzoate
JH918528	Methyl 3,5-difluoro-4-nitrobenzoate
JH919329	Methyl 3-ethoxy-5-fluoro-4-nitrobenzoate
JH920196	Methyl 3-cyclopropoxy-5-fluoro-4-nitrobenzoate
JH339265	Methyl 4-formyl-2-methoxybenzoate
JH211414	2-formyl-5-methoxybenzonitrile
JH599665	Methyl 3-amino-4-nitrobenzoate
JH237334	4-formyl-3-methyl-benzonitrile

Catalog	Name
OR83241-01	Methyl 5-formyl-2-nitrobenzoate
SFA31469-01	Methyl 2-formyl-5-nitrobenzoate
XGA89978	Methyl 3-formyl-5-nitrobenzoate
455247-01	Methyl 3-Formyl-2-nitrobenzoate
OR1004572	Methyl 2-chloro-4-formyl-5-nitrobenzoate
OR1031142-01	Methyl 2-formyl-3-nitrobenzoate
OR92246-01	Methyl 2-formyl-6-nitrobenzoate
OR55158-01	Methyl 3-formyl-2-nitrobenzoate
OR74624-01	Methyl 3-formyl-4-nitrobenzoate
sc-228544	Methyl 4-formyl-3-nitrobenzoate