Name: Name:5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
Brand: Angene
SKU: AG019X8O
Rating: 90 (10 reviews)

5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid

CAS No.:

1096827-33-6

Catalog Number:

AG019X8O

Molecular Formula:

C12H10N2O6S

Molecular Weight:

310.2826

Catalog Number:

AG019X8O

Chemical Name:

5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid

CAS Number:

1096827-33-6

Molecular Formula:

C12H10N2O6S

Molecular Weight:

310.2826

MDL Number:

MFCD13196042

IUPAC Name:

5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid

InChI:

InChI=1S/C12H10N2O6S/c1-19-10-2-8(12(15)16)9(14(17)18)3-11(10)20-4-7-5-21-6-13-7/h2-3,5-6H,4H2,1H3,(H,15,16)

InChI Key:

QCGWJDCBTNENHU-UHFFFAOYSA-N

SMILES:

COc1cc(C(=O)O)c(cc1OCc1cscn1)[N+](=O)[O-]

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.28g/mol

Monoisotopic Mass:

310.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

143A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8