AG00IAQ9

60638-81-5 | Methyl 5-(chlorosulfonyl)-2-hydroxybenzoate

AG00IAQ9

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CAS Number	60638-81-5
Catalog Number	AG00IAQ9(AGN-PC-00SYLV)
Chemical Name	Methyl 5-(chlorosulfonyl)-2-hydroxybenzoate
IUPAC Name	methyl 5-chlorosulfonyl-2-hydroxybenzoate
InChI	InChI=1S/C8H7ClO5S/c1-14-8(11)6-4-5(15(9,12)13)2-3-7(6)10/h2-4,10H,1H3
InChI Key	JCUQSWVHGVRETC-UHFFFAOYSA-N
MDL Number	MFCD11857789
Molecular Formula	C8H7ClO5S
Molecular Weight	250.6562
SMILES	O=C(OC)C1=CC(S(=O)(Cl)=O)=CC=C1O
Synonyms	methyl 5-(chlorosulfonyl)-2-hydroxybenzoate, 60638-81-5, Methyl 5-chlorosulfonyl-2-hydroxybenzoate, Benzoic acid, 5-(chlorosulfonyl)-2-hydroxy-, methyl ester, AC1Q42RM, SCHEMBL1647307, CTK5B1958, DTXSID30503317, JCUQSWVHGVRETC-UHFFFAOYSA-N, ALBB-031175, 9060AB, MFCD11857789, ZINC60023434, AKOS015891163, NE40955, BS-14110, Methyl 3-Chlorosulfonyl-6-hydroxybenzoate, EN300-41123, M90113, 5-Chlorosulfonyl-2-hydroxy-benzoic acid methyl ester, I01-9306, Benzoicacid,5-(chlorosulfonyl)-2-hydroxy-,methylester, C8H7ClO5S, Methyl5-(chlorosulfonyl)-2-hydroxybenzoate, C3152,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.97g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	250.649g/mol
Monoisotopic Mass	249.97g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number