AG002D8I

201150-65-4 | Benzoic acid, 4,5-dichloro-2-methoxy-

AG002D8I

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CAS Number	201150-65-4
Catalog Number	AG002D8I(AGN-PC-03777B)
Chemical Name	Benzoic acid, 4,5-dichloro-2-methoxy-
IUPAC Name	4,5-dichloro-2-methoxybenzoic acid
InChI	InChI=1S/C8H6Cl2O3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	WBFXTOLYBVHEHR-UHFFFAOYSA-N
MDL Number	MFCD11045611
Molecular Formula	C8H6Cl2O3
Molecular Weight	221.0374
SMILES	O=C(O)C1=CC(Cl)=C(Cl)C=C1OC
Synonyms	4,5-Dichloro-2-methoxybenzoic acid, 201150-65-4, Benzoic acid, 4,5-dichloro-2-methoxy-, SCHEMBL3387534, WBFXTOLYBVHEHR-UHFFFAOYSA-N, MFCD11045611, STL507851, ZINC45957403, AKOS005147216, MCULE-9002999770, NE19783, AK318919, DS-11588, X8069, Z1342879039, C8H6Cl2O3, ACN-028814, 22775-37-7,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.033g/mol
Monoisotopic Mass	219.969g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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