Methyl 2-[4-(Chlorosulfonyl)phenyl]acetate - CAS 53305-12-7
Catalog: |
BB072754 |
Product Name: |
Methyl 2-[4-(Chlorosulfonyl)phenyl]acetate |
CAS: |
53305-12-7 |
Synonyms: |
Methyl 2-(4-(chlorosulfonyl)phenyl)acetate; methyl 2-[4-(chlorosulfonyl)phenyl]acetate; methyl 2-(4-chlorosulfonylphenyl)acetate; Methyl [4-(chlorosulfonyl)phenyl]acetate |
IUPAC Name: | methyl 2-(4-chlorosulfonylphenyl)acetate |
Molecular Weight: | 248.68 |
Molecular Formula: | C9H9O4SCl |
Canonical SMILES: | COC(=O)CC1=CC=C(C=C1)S(=O)(=O)Cl |
InChI: | InChI=1S/C9H9ClO4S/c1-14-9(11)6-7-2-4-8(5-3-7)15(10,12)13/h2-5H,6H2,1H3 |
InChI Key: | MFNAEDWMLRNDKH-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.9910076 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.9910076 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS