AG000SMP

1263283-69-7 | Benzoic acid, 4-(chloromethyl)-3,5-difluoro-, methyl ester

AG000SMP

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CAS Number	1263283-69-7
Catalog Number	AG000SMP(AGN-PC-0WAAB4)
Chemical Name	Benzoic acid, 4-(chloromethyl)-3,5-difluoro-, methyl ester
IUPAC Name	methyl 4-(chloromethyl)-3,5-difluorobenzoate
InChI	InChI=1S/C9H7ClF2O2/c1-14-9(13)5-2-7(11)6(4-10)8(12)3-5/h2-3H,4H2,1H3
InChI Key	RWNXTXQXCJVRLY-UHFFFAOYSA-N
MDL Number	MFCD17676601
Molecular Formula	C9H7ClF2O2
Molecular Weight	220.6005
SMILES	O=C(OC)C1=CC(F)=C(CCl)C(F)=C1
Synonyms	methyl 4-(chloromethyl)-3,5-difluorobenzoate, 1263283-69-7, AK-41987, Benzoicacid,4-(chloromethyl)-3,5-difluoro-,methylester, AMBZ0411, SCHEMBL20535230, CTK8B4803, KS-00000OFB, DTXSID90677427, ANW-46299, CL9037, MFCD17676601, ZINC66325839, AKOS015890932, AM84968, DS-1789, FCH1362157, MP-1157, CJ-21287, AB0035356, AJ-116045, AX8209321, Methyl 4-chloromethyl-3,5-difluorobenzoate, TC-071969, TC-135044, 4CH-010147, ST24031071, X9670, Methyl-4-(chloromethyl)-3,5-difluorobenzoate, I01-8743, Benzoic acid, 4-(chloromethyl)-3,5-difluoro-, methyl ester, C9H7ClF2O2, ACN-038942, Methyl4-(chloromethyl)-3,5-difluorobenzoate, 4-Chloromethyl-3,5-difluoro-benzoic acid methyl ester,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.6g/mol
Monoisotopic Mass	220.01g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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