AG003RRO

3964-57-6 | Methyl 3-Chloro-4-Hydroxybenzoate

AG003RRO

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CAS Number	3964-57-6
Catalog Number	AG003RRO(AGN-PC-0JLQSM)
Chemical Name	Methyl 3-Chloro-4-Hydroxybenzoate
EC Number	223-573-0
IUPAC Name	methyl 3-chloro-4-hydroxybenzoate
InChI	InChI=1S/C8H7ClO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
InChI Key	ZSBIMTDWIGWJPW-UHFFFAOYSA-N
MDL Number	MFCD00016418
Molecular Formula	C8H7ClO3
Molecular Weight	186.5924
NSC Number	210795
SMILES	O=C(OC)C1=CC=C(O)C(Cl)=C1
Synonyms	Methyl 3-chloro-4-hydroxybenzoate, 3964-57-6, 3-Chloro-4-hydroxybenzoic acid methyl ester, MFCD00016418, Benzoic acid, 3-chloro-4-hydroxy-, methyl ester, ZSBIMTDWIGWJPW-UHFFFAOYSA-N, Methyl 3-chloro-4-hydroxy benzoate, methyl 3-chloro-4-hydroxy-benzoate, 3-chloro-4-hydroxy benzoic acid methyl ester, EINECS 223-573-0, NSC210795, METHYL3-CHLORO-4-HYDROXYBENZOATE, ACMC-1AH4X, AC1L2TD1, AC1Q3LL3, SCHEMBL198849, CTK4I1678, KS-00000BDW, DTXSID90192746, methyl 3-chloro-4 hydroxybenzoate, Methyl 4-hydroxy-3-chlorobenzoate, Methyl-4-hydroxy-3-chlorobenzoate, ACT00864, BCP24575, ZINC1746319, ANW-46701, CL8550, AKOS007930285, AC-7175, AN-9254, CS-W007871, MCULE-7606547791, NSC-210795, TRA0085134, AJ-31413, AK-82339, AM808224, CJ-07004, CJ-29603, SC-22854, SY004575, AB0010398, AB1000145, DB-049456, METHYL-3-CHLORO-4-HYDROXY BENZOATE, ST2407203, TC-135446, FT-0615407, ST50825263, 3-Chloro-4-hydroxy-benzoic acid methyl ester, 3-chloro-4-(hydroxy)benzoic acid methyl ester, Benzoic acid,3-chloro-4-hydroxy-, methyl ester, MFCD00016418 (97+%), I01-22632, C8H7ClO3, C8-H7-Cl-O3, CID77580, AR-1J5132, ACN-050316, METHYL-3-CHLORO-4-HYDROXYBENZOATE, 4149-60-4,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.008g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.591g/mol
Monoisotopic Mass	186.008g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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