Home Nitros 2-[(3-methoxypropyl)sulfanyl]-5-nitrobenzoic acid

2-[(3-methoxypropyl)sulfanyl]-5-nitrobenzoic acid

CAS No.:
1274507-38-8
Catalog Number:
AG01A3JT
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
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Product Description
Catalog Number:
AG01A3JT
Chemical Name:
2-[(3-methoxypropyl)sulfanyl]-5-nitrobenzoic acid
CAS Number:
1274507-38-8
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
MDL Number:
MFCD19194498
IUPAC Name:
2-(3-methoxypropylsulfanyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C11H13NO5S/c1-17-5-2-6-18-10-4-3-8(12(15)16)7-9(10)11(13)14/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChI Key:
ZARNQMQYSOTZNE-UHFFFAOYSA-N
SMILES:
COCCCSc1ccc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.287g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties