5-Chloro-2,4-Dinitrobenzoic Acid

CAT: 0127-OR1026913-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1026913-01Size:250 mg

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CAS Number

136833-36-8

Synonyms

5-chloro-2,4-dinitrobenzoic acid

Purity

98%

Smiles

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

Chemical Information

5-Chloro-2,4-dinitrobenzoic acid

CAS Number	136833-36-8
PubChem CID	3727860
IUPAC Name	5-chloro-2,4-dinitrobenzoic acid
Molecular Formula	C7H3ClN2O6
Molecular Weight	246.56
XLogP	2
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	324

SMILES

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

InChI

InChI=1S/C7H3ClN2O6/c8-4-1-3(7(11)12)5(9(13)14)2-6(4)10(15)16/h1-2H,(H,11,12)

InChIKey

VVQOEJCXWMGEJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 136833-36-8

CID: 3727860

Formula: C7H3ClN2O6

MW: 246.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.56
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	245.9679635
Monoisotopic Mass	245.9679635
Topological Polar Surface Area	129 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	324
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
OR18359	4-Chloro-3,5-dinitrobenzoic acid
OR471102	4-Chloro-2,6-dinitrobenzoic acid
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OR5159	2,4-Dinitrobenzoic acid
OR1006504	4-Hydroxy-3,5-dinitrobenzoic acid
OR3735-01	2-Bromo-3,5-dinitrobenzoic acid
OR3469-01	3,4-Dinitrobenzoic acid
OR1956-01	3,5-Dinitrobenzoic acid
OR1044179	2,6-Dinitrobenzoic acid
PC1007575-01	4-Chloro-2,5-difluorophenylboronic acid

Catalog	Name
sc-268014	5-Chloro-2,4-dinitrobenzoic acid
sc-226582	4-Chloro-3,5-dinitrobenzoic acid
sc-265542	2-Chloro-3,5-dinitrobenzoic acid
TRC-C482260-250MG	4-Chloro-2-methyl-3,5-dinitrobenzoic Acid
C11710-01	4-Chloro-3 5-dinitrobenzoic acid 95%
C11700-01	2-Chloro-3,5-dinitrobenzoic acid 97%
sc-231136	2,5-Dinitrobenzoic acid
FD35036-01	2,4-Dinitrobenzoic acid
EJB67169-01	2,4-Dimethyl-3,5-dinitrobenzoic acid
sc-230941	2,4-Dichloro-3,5-dinitrobenzoic acid