Chlorbenzuron

CAT: 1299-RM-C621800-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C621800-04Size:100 mg

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CAS Number

57160-47-1

Synonyms

2-chloro-N- ((4-chlorophenyl) carbamoyl) benzamide

Molecular Formula

C14H10Cl2N2O2

Molecular Weight

309.15

Target Alternative Name

Chlorbenzuron

Product Name Synonym

2-chloro-N- ((4-chlorophenyl) carbamoyl) benzamide

Chemical Information

1-(2-Chlorobenzoyl)-3-(4-chlorophenyl)urea

structure in first source

CAS Number	57160-47-1
PubChem CID	108078
IUPAC Name	2-chloro-N-[(4-chlorophenyl)carbamoyl]benzamide
Molecular Formula	C14H10Cl2N2O2
Molecular Weight	309.1
XLogP	5
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	357

SMILES

C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H10Cl2N2O2/c15-9-5-7-10(8-6-9)17-14(20)18-13(19)11-3-1-2-4-12(11)16/h1-8H,(H2,17,18,19,20)

InChIKey

YPSCQJTUAKNUNF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57160-47-1

CID: 108078

Formula: C14H10Cl2N2O2

MW: 309.1

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.1
XLogP3	5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	308.0119330
Monoisotopic Mass	308.0119330
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	357
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