Methyl 2,6-dichloro-4-nitrobenzoate

CAT: 0127-OR17519Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR17519Size:1 Each

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CAS Number

232275-50-2

Synonyms

3,5-Dichloro-4- (methoxycarbonyl) nitrobenzene

MDL Number

MFCD14584988

Purity

=95%

Smiles

COC(=O)c1c(Cl)cc(cc1Cl)[N+](=O)[O-]

Chemical Information

Methyl 2,6-dichloro-4-nitrobenzoate

CAS Number	232275-50-2
PubChem CID	22571909
IUPAC Name	methyl 2,6-dichloro-4-nitrobenzoate
Molecular Formula	C8H5Cl2NO4
Molecular Weight	250.03
XLogP	2.6
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	256

SMILES

COC(=O)C1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C8H5Cl2NO4/c1-15-8(12)7-5(9)2-4(11(13)14)3-6(7)10/h2-3H,1H3

InChIKey

IHHIKOHTZXBYOI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 232275-50-2

CID: 22571909

Formula: C8H5Cl2NO4

MW: 250.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.03
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	248.9595630
Monoisotopic Mass	248.9595630
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	256
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
OR1031735-01	Methyl 4,6-dichloro-3-methoxy-2-nitrobenzoate
PC501634	Methyl 2,4-difluoro-6-nitrobenzoate
OR470475	Methyl 2,5-Dichloro-3-nitrobenzoate
OR301028-01	Methyl 2-methyl-6-nitrobenzoate
PC1004003-01	Methyl 4-bromo-2-fluoro-6-nitrobenzoate
PC502597-01	Methyl 2-fluoro-6-nitrobenzoate
OR94272-01	Methyl 2-bromo-6-nitrobenzoate
OR932561-01	Methyl 2- (bromomethyl) -6-nitrobenzoate
OR85220-01	Methyl 2-hydroxy-6-nitrobenzoate
OR92246-01	Methyl 2-formyl-6-nitrobenzoate

Catalog	Name
455008-01	Methyl 2,4-dichloro-5-nitrobenzoate
455306-01	Methyl 3,4-dichloro-5-nitrobenzoate
NCA10554-01	Methyl 2,3-dichloro-5-nitrobenzoate
RG-M200874-01	Methyl 2-Methyl-6-Nitrobenzoate
abx182527-01	Methyl 2-methyl-4-nitrobenzoate
AKA65097-01	Methyl 2,4,6-trimethyl-3-nitrobenzoate
SID70064-01	Methyl 4-bromo-2-chloro-6-nitrobenzoate
KPC06060-01	Methyl 2-bromo-6-fluoro-4-nitrobenzoate
TRC-M295598-500MG	Methyl 2-chloro-6-nitrobenzoate
FH 1G 0165-01	Methyl 2-acetamido-6-nitrobenzoate