2-(tert-Butyl)benzoyl Chloride - CAS 16372-51-3

Catalog:	BB012031
Product Name:	2-(tert-Butyl)benzoyl Chloride
CAS:	16372-51-3
Synonyms:	2-tert-butylbenzoyl chloride; 2-tert-butylbenzoyl chloride

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Computed Properties

IUPAC Name:	2-tert-butylbenzoyl chloride
Description:	2-(tert-Butyl)benzoyl Chloride (CAS# 16372-51-3) is a useful research chemical compound.
Molecular Weight:	196.67
Molecular Formula:	C11H13ClO
Canonical SMILES:	CC(C)(C)C1=CC=CC=C1C(=O)Cl
InChI:	InChI=1S/C11H13ClO/c1-11(2,3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3
InChI Key:	ZQOZLLNCVHPQMV-UHFFFAOYSA-N
MDL:	MFCD09258867
LogP:	3.36310

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.0654927
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.0654927
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1