AG003LTX

50606-96-7 | 4-N-Heptylbenzoyl chloride

AG003LTX

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CAS Number	50606-96-7
Catalog Number	AG003LTX(AGN-PC-0JPRMG)
Chemical Name	4-N-Heptylbenzoyl chloride
EC Number	256-648-1
IUPAC Name	4-heptylbenzoyl chloride
InChI	InChI=1S/C14H19ClO/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3
InChI Key	WHTFLTOKFXTJGV-UHFFFAOYSA-N
MDL Number	MFCD00000702
Molecular Formula	C14H19ClO
Molecular Weight	238.7531
SMILES	O=C(Cl)C1=CC=C(CCCCCCC)C=C1
Synonyms	4-Heptylbenzoyl chloride, 50606-96-7, 4-n-Heptylbenzoyl chloride, Benzoyl chloride, 4-heptyl-, p-Heptylbenzoyl chloride, WHTFLTOKFXTJGV-UHFFFAOYSA-N, W-105943, EINECS 256-648-1, AC1Q2VWC, ACMC-209ko7, AC1L56EE, Benzoyl chloride,4-heptyl-, 4-N-HeptYl-Benzoyl Chloride, SCHEMBL1021538, 4-Heptylbenzoyl chloride, 99%, DTXSID2068559, 4-N-HEPTYLBENZOYLCHLORIDE, CTK3J4045, 4-n-heptyl benzoic acid chloride, ZINC2140824, ZX-AT017182, ANW-31061, MFCD00000702, SBB057133, AKOS002685612, MCULE-1733469689, RTR-018077, 4-(Hept-1-yl)benzoyl chloride 95+%, OR018791, TR-018077, FT-0618578, ST50997488, I01-19297, C14H19ClO, C14-H19-Cl-O, CID170864, H0792,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.112g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.755g/mol
Monoisotopic Mass	238.112g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
Signal Words	danger
UN Code	UN 3265

Certificate of Analysis

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