CAS 101252-14-6 | Imidodicarbonimidic diamide, N-(2,4-dichlorophenyl)- | CAS Number 101252-14-6

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101252-14-6 | Imidodicarbonimidic diamide, N-(2,4-dichlorophenyl)-

CAS No: 101252-14-6 Catalog No: AG00042K MDL No:MFCD00448709

Product Description

Catalog Number:

AG00042K

Chemical Name:

Imidodicarbonimidic diamide, N-(2,4-dichlorophenyl)-

CAS Number:

101252-14-6

Molecular Formula:

C8H9Cl2N5

Molecular Weight:

246.0966

MDL Number:

MFCD00448709

IUPAC Name:

1-(diaminomethylidene)-2-(2,4-dichlorophenyl)guanidine

InChI:

InChI=1S/C8H9Cl2N5/c9-4-1-2-6(5(10)3-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)

InChI Key:

YUOBDYAVSVCCNI-UHFFFAOYSA-N

SMILES:

NC(=N)NC(=N)Nc1ccc(cc1Cl)Cl

Properties

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.024g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.095g/mol

Monoisotopic Mass:

245.024g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Discovery of small molecule inhibitors of integrin alphavbeta3 through structure-based virtual screening.	Bioorganic & medicinal chemistry letters 20061115