AG003LU3

50606-95-6 | 4-Hexylbenzoyl chloride

AG003LU3

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CAS Number	50606-95-6
Catalog Number	AG003LU3(AGN-PC-0JPRMF)
Chemical Name	4-Hexylbenzoyl chloride
EC Number	256-647-6
IUPAC Name	4-hexylbenzoyl chloride
InChI	InChI=1S/C13H17ClO/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3
InChI Key	XRAHLPNMIIAEPP-UHFFFAOYSA-N
MDL Number	MFCD00000701
Molecular Formula	C13H17ClO
Molecular Weight	224.7265
SMILES	CCCCCCc1ccc(cc1)C(Cl)=O
Synonyms	4-Hexylbenzoyl chloride, 50606-95-6, 4-n-Hexylbenzoyl chloride, Benzoyl chloride, 4-hexyl-, p-Hexylbenzoyl chloride, XRAHLPNMIIAEPP-UHFFFAOYSA-N, MFCD00000701, 4-n-Hexylbenzoylchloride, EINECS 256-647-6, AC1Q2VUI, AC1L56EB, 4-N-HexYl-Benzoyl Chloride, 4-Hexylbenzoyl chloride, 98%, SCHEMBL1020543, DTXSID7068558, CTK3J3204, para-n-hexyl benzoic acid chloride, ZINC2140822, ZX-AT023458, AKOS002685611, MCULE-4839112494, ACM50606956, CC-20046, CJ-32868, DB-051800, RT-001323, FT-0618590, ST51039962, C-12714, I01-19301, C13H17ClO, C13-H17-Cl-O, 4-hexylbenzene-1-carbonyl chloride, CID170863, ZINC02140822,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.097g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.728g/mol
Monoisotopic Mass	224.097g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number