3-Nitrophenyl Carbonochloridate

CAT: 1299-RG-A261342-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261342-01Size:10 mg

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CAS Number

14235-05-3

Synonyms

3-nitrophenyl carbonochloridate

Molecular Formula

C7H4ClNO4

Molecular Weight

201.56

Target Alternative Name

Nintedanib

Product Name Synonym

3-nitrophenyl carbonochloridate

Chemical Information

3-Nitrophenyloxycarbonyl chloride

CAS Number	14235-05-3
PubChem CID	11333141
IUPAC Name	(3-nitrophenyl) carbonochloridate
Molecular Formula	C7H4ClNO4
Molecular Weight	201.56
XLogP	2.9
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	215

SMILES

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

InChI

InChI=1S/C7H4ClNO4/c8-7(10)13-6-3-1-2-5(4-6)9(11)12/h1-4H

InChIKey

JAYFJCQVACHCGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14235-05-3

CID: 11333141

Formula: C7H4ClNO4

MW: 201.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.56
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	200.9828853
Monoisotopic Mass	200.9828853
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	215
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
RG-A261730-01	4-Nitrophenyl Carbonochloridate
RG-A261343-01	2-Nitrophenyl Carbonochloridate
RG-T180941-01	Trichloromethyl Carbonochloridate
RG-P181514-01	Propyl Carbonochloridate
RG-P022719-01	2-Chloroethyl Carbonochloridate
RG-M200843-01	4-Methylpentyl Carbonochloridate
RG-A261994-01	1-Bromoethyl Carbonochloridate
RG-E200882-01	2-Ethylbutyl Carbonochloridate
RG-M082519-01	2-Methylbutyl Carbonochloridate
RG-N092009-01	4-Nitrobenzyl Carbonochloridate

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