Name: Name:2-Chloro-4-[3-(3-methyl-4-nitro-phenyl)-ureido]-benzenesulfonyl chloride
Brand: Angene
SKU: AG01EWX2
Rating: 90 (10 reviews)

2-Chloro-4-[3-(3-methyl-4-nitro-phenyl)-ureido]-benzenesulfonyl chloride

CAS No.:

680617-73-6

Catalog Number:

AG01EWX2

Molecular Formula:

C14H11Cl2N3O5S

Molecular Weight:

404.2252

Catalog Number:

AG01EWX2

Chemical Name:

2-Chloro-4-[3-(3-methyl-4-nitro-phenyl)-ureido]-benzenesulfonyl chloride

CAS Number:

680617-73-6

Molecular Formula:

C14H11Cl2N3O5S

Molecular Weight:

404.2252

MDL Number:

MFCD03424941

IUPAC Name:

2-chloro-4-[(3-methyl-4-nitrophenyl)carbamoylamino]benzenesulfonyl chloride

InChI:

InChI=1S/C14H11Cl2N3O5S/c1-8-6-9(2-4-12(8)19(21)22)17-14(20)18-10-3-5-13(11(15)7-10)25(16,23)24/h2-7H,1H3,(H2,17,18,20)

InChI Key:

KRGRMLAYAUXTOU-UHFFFAOYSA-N

SMILES:

O=C(Nc1ccc(c(c1)C)[N+](=O)[O-])Nc1ccc(c(c1)Cl)S(=O)(=O)Cl

Complexity:

607

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

404.218g/mol

Monoisotopic Mass:

402.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

130A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3