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Home > Nitro Compounds > 74834-86-9
74834-86-9 | Formamide, N-[2-[(2,4-dinitrophenyl)thio]-4-methoxy-6-nitrophenyl]-
CAS No: 74834-86-9 Catalog No: AG005GVZ MDL No:
Product Description
Catalog Number:
AG005GVZ
Chemical Name:
Formamide, N-[2-[(2,4-dinitrophenyl)thio]-4-methoxy-6-nitrophenyl]-
CAS Number:
74834-86-9
Molecular Formula:
C14H10N4O8S
Molecular Weight:
394.3162
IUPAC Name:
N-[2-(2,4-dinitrophenyl)sulfanyl-4-methoxy-6-nitrophenyl]formamide
InChI:
InChI=1S/C14H10N4O8S/c1-26-9-5-11(18(24)25)14(15-7-19)13(6-9)27-12-3-2-8(16(20)21)4-10(12)17(22)23/h2-7H,1H3,(H,15,19)
InChI Key:
DULUXSJHHXJGCD-UHFFFAOYSA-N
SMILES:
O=CNc1c(cc(cc1[N+](=O)[O-])OC)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.022g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.314g/mol
Monoisotopic Mass:
394.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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