Maribavir Impurity 31

CAT: 1299-RM-M383031-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M383031-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2034-23-3

Synonyms

5-chloro-1,3-dihydro-2H-benzo[d]imidazol-2-one

Molecular Formula

C7H5ClN2O

Molecular Weight

168.58

Target Alternative Name

Maribavir

Chemical Information

5-chloro-1,3-dihydro-2H-benzimidazol-2-one

structure in first source

CAS Number	2034-23-3
PubChem CID	223131
IUPAC Name	5-chloro-1,3-dihydrobenzimidazol-2-one
Molecular Formula	C7H5ClN2O
Molecular Weight	168.58
XLogP	1.7
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	185

SMILES

C1=CC2=C(C=C1Cl)NC(=O)N2

InChI

InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)

InChIKey

QIGIQLYKEULMQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2034-23-3

CID: 223131

Formula: C7H5ClN2O

MW: 168.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.58
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	168.0090405
Monoisotopic Mass	168.0090405
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	185
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