2,4-dichloro-5-nitrobenzoic acid

CAT: 1596-AR-B06688-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06688-01Size:10 Units

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CAS Number

19861-62-2

Molecular Formula

C7H3Cl2NO4

Molecular Weight

236.00

API Name

Benzoic acid

Chemical Information

2,4-Dichloro-5-nitrobenzoic acid

CAS Number	19861-62-2
PubChem CID	796650
IUPAC Name	2,4-dichloro-5-nitrobenzoic acid
Molecular Formula	C7H3Cl2NO4
Molecular Weight	236.01
XLogP	2.4
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	255

SMILES

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

InChI

InChI=1S/C7H3Cl2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)

InChIKey

TXZVRLLCMSPNOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19861-62-2

CID: 796650

Formula: C7H3Cl2NO4

MW: 236.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.01
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	234.9439130
Monoisotopic Mass	234.9439130
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	255
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
AR-M02777-01	4,5-Dimethoxy-2-nitrobenzoic Acid
AR-T01722-01	4-Nitrobenzoic Acid
AR-B06721-01	2,5-Dichloro Benzoic Acid
AR-M03004-01	4-Methyl-3-nitrobenzoic Acid
AR-F02222-01	2,4-dichloro-5-sulfobenzoicacid
AR-M03101-01	2,4-Dichloro-5-nitropyrimidine
AR-B06784-01	2,5-Dichloro Benzoic Acid-d3
AR-B06741-01	3-Amino-2,4-Difluoro-6-Nitrobenzoic Acid
AR-L05992-01	2-Methyl-3-nitrobenzoic acid
AR-B06697-01	2-Chloro-6-nitrobenzoic acid

Catalog	Name
OR92564-01	2,4-Dichloro-5-nitrobenzoic acid
OR1065695-01	3,4-Dichloro-5-nitrobenzoic acid
NAA30061-01	2,3-Dichloro-5-nitrobenzoic acid
sc-231076	2,5-Dichloro-3-nitrobenzoic acid
OR90399	3,5-Dichloro-2-nitrobenzoic acid
sc-225664A	2,4-Dichloro-5-fluoro-3-nitrobenzoic acid
OR1031841-01	2,6-Dichloro-4-nitrobenzoic acid
OR1033312-01	2,4-Dichloro-3-nitrobenzoic acid
OR1002267	4,6-Dichloro-3-hydroxy-2-nitrobenzoic acid
NAA30062-01	2,3-Dichloro-6-nitrobenzoic acid