AG00D2R5

36823-82-2 | 4-Isopropoxybenzoyl Chloride

AG00D2R5

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CAS Number	36823-82-2
Catalog Number	AG00D2R5(AGN-PC-0KK0AJ)
Chemical Name	4-Isopropoxybenzoyl Chloride
EC Number	253-229-5
IUPAC Name	4-propan-2-yloxybenzoyl chloride
InChI	InChI=1S/C10H11ClO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3
InChI Key	USRKDQLKRQMYKX-UHFFFAOYSA-N
MDL Number	MFCD00044898
Molecular Formula	C10H11ClO2
Molecular Weight	198.6461
SMILES	O=C(Cl)C1=CC=C(OC(C)C)C=C1
Synonyms	4-Isopropoxybenzoyl chloride, 36823-82-2, 4-(propan-2-yloxy)benzoyl chloride, Benzoyl chloride, 4-(1-methylethoxy)-, 4-isopropoxy-benzoyl chloride, 4-propan-2-yloxybenzoyl chloride, EINECS 253-229-5, AC1MC4YZ, 4-isopropoxy benzoyl chloride, 4-iso-propoxy-benzoyl chloride, SCHEMBL1029780, CTK1C2425, DTXSID40190292, USRKDQLKRQMYKX-UHFFFAOYSA-N, ALBB-011181, ZINC2168832, BBL014182, MFCD00044898, STK347408, AKOS000289287, MCULE-1086579934, 4-(1-Methylethoxy)benzoic acid chloride, DA-06386, SC-45831, AB0157478, BB 0245718, FT-0683322, Z-0565, A817839, I01-13211, F2190-0050, C10-H11-Cl-O2, CID2724465, 2538-98-9,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.646g/mol
Monoisotopic Mass	198.045g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
UN Code	UN 3265

Certificate of Analysis

Lot Number