Benzoyl chloride-d5

CAT: 0024-sc-233971Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-233971Size:1 g

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CAS Number

43019-90-5

Chemical Information

Benzoyl chloride-d5

CAS Number	43019-90-5
PubChem CID	2724855
IUPAC Name	2,3,4,5,6-pentadeuteriobenzoyl chloride
Molecular Formula	C7H5ClO
Molecular Weight	145.60
XLogP	2.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	105

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)Cl)[2H])[2H]

InChI

InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

InChIKey

PASDCCFISLVPSO-RALIUCGRSA-N

Chemical Structure

2D Structure

CAS: 43019-90-5

CID: 2724855

Formula: C7H5ClO

MW: 145.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.60
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	145.0342762
Monoisotopic Mass	145.0342762
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
Isotope Atom Count	5
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
sc-214588	Benzoyl chloride
sc-214588A	Benzoyl chloride
sc-257137	Benzoyl chloride-α-13C
sc-473045	Tridihexethyl Chloride-d5
sc-497381	Edrophonium-d5 Chloride
sc-476234	Propanoyl-D5 Chloride
sc-321010	2- (benzyloxy) benzoyl chloride
sc-397114A	4- (Trifluoromethyl) benzoyl chloride
sc-289614	4- (pentyloxy) benzoyl chloride
sc-261457	4- (Pentafluorothio) benzoyl chloride

Catalog	Name
TRC-B209553-500MG	Benzoyl-d5 Chloride
3120995	Benzoyl chloride
TRC-B694277-25MG	Benzoyl Fentanyl-d5
RKA30867-01	Benzoyl chloride-13C6
462215-01	Benzoyl Chloride AR
GPC3522-B	Benzoyl Chloride 99%
464991-01	S-Benzoyl Tiopronin-d5
027349-01	Benzoyl Chloride for Synthesis (Benzoic acid chloride)
TRC-P270320-5G	o-(Pentafluorobenzyloxycarbonyl)benzoyl Chloride
CS-T-48832	Benzyl-d5 Chloride