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methyl 4-(chlorosulfonyl)-3-nitrobenzoate

methyl 4-(chlorosulfonyl)-3-nitrobenzoate

CAS: 162010-78-8

Formula: C8H6ClNO6S

SMILES: COC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)S(Cl)(=O)=O

IUPAC: methyl 4-(chlorosulfonyl)-3-nitrobenzoate

InChI: InChI=1S/C8H6ClNO6S/c1-16-8(11)5-2-3-7(17(9,14)15)6(4-5)10(12)13/h2-4H,1H3

Composition: C (34.36%), H (2.16%), Cl (12.68%), N (5.01%), O (34.33%), S (11.46%)

Molar Mass: 279.65

Atom Count: 23

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 278.9604358
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey QSCZSBGBDORDGM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.6
Topological Polar Surface Area 103.58
Polarizability 23
Ring Count 1
Rotatable Bond Count 4

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