Name: Name:{2-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}methanol
Brand: Angene
SKU: AG01A362
Rating: 90 (10 reviews)

{2-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}methanol

CAS No.:

66949-31-3

Catalog Number:

AG01A362

Molecular Formula:

C13H10ClNO3S

Molecular Weight:

295.7414

Catalog Number:

AG01A362

Chemical Name:

{2-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}methanol

CAS Number:

66949-31-3

Molecular Formula:

C13H10ClNO3S

Molecular Weight:

295.7414

MDL Number:

MFCD19191554

IUPAC Name:

[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methanol

InChI:

InChI=1S/C13H10ClNO3S/c14-10-1-4-12(5-2-10)19-13-6-3-11(15(17)18)7-9(13)8-16/h1-7,16H,8H2

InChI Key:

AITRBTUHXBDRBZ-UHFFFAOYSA-N

SMILES:

OCc1cc(ccc1Sc1ccc(cc1)Cl)[N+](=O)[O-]

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.737g/mol

Monoisotopic Mass:

295.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6