Name: Name:Benzoic acid, 5-(chlorosulfonyl)-2-hydroxy-, methyl ester
Brand: Angene
SKU: AG00IAQ9
Rating: 90 (10 reviews)

Benzoic acid, 5-(chlorosulfonyl)-2-hydroxy-, methyl ester

CAS No.:

60638-81-5

Catalog Number:

AG00IAQ9

Molecular Formula:

C8H7ClO5S

Molecular Weight:

250.6562

Catalog Number:

AG00IAQ9

Chemical Name:

Benzoic acid, 5-(chlorosulfonyl)-2-hydroxy-, methyl ester

CAS Number:

60638-81-5

Molecular Formula:

C8H7ClO5S

Molecular Weight:

250.6562

MDL Number:

MFCD11857789

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

SMILES:

COC(=O)c1cc(ccc1O)S(=O)(=O)Cl

Complexity:

333

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.97g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.649g/mol

Monoisotopic Mass:

249.97g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3