Name: Name:4-(N,N-dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole
Brand: Angene
SKU: AG008YX1
Rating: 90 (10 reviews)

4-(N,N-dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole

CAS No.:

117056-66-3

Catalog Number:

AG008YX1

Molecular Formula:

Molecular Weight:

Catalog Number:

AG008YX1

Chemical Name:

4-(N,N-dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole

CAS Number:

117056-66-3

MDL Number:

MFCD00467445

IUPAC Name:

N,N-dihexadecyl-4-nitro-2,1,3-benzoxadiazol-7-amine

InChI:

InChI=1S/C38H68N4O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-41(35-31-32-36(42(43)44)38-37(35)39-45-40-38)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30,33-34H2,1-2H3

InChI Key:

JVTZCQBNIYPZGI-UHFFFAOYSA-N

Complexity:

644

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

628.529g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

628.987g/mol

Monoisotopic Mass:

628.529g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

16.6