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Home > Nitro Compounds > 338396-41-1
338396-41-1 | 2-[(4-nitrophenyl)carbamoyl]phenyl N,N-dimethylsulfamate
CAS No: 338396-41-1 Catalog No: AG00IXQZ MDL No:MFCD00140768
Product Description
Catalog Number:
AG00IXQZ
Chemical Name:
2-[(4-nitrophenyl)carbamoyl]phenyl N,N-dimethylsulfamate
CAS Number:
338396-41-1
Molecular Formula:
C15H15N3O6S
Molecular Weight:
365.3611
MDL Number:
MFCD00140768
IUPAC Name:
[2-[(4-nitrophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
InChI:
InChI=1S/C15H15N3O6S/c1-17(2)25(22,23)24-14-6-4-3-5-13(14)15(19)16-11-7-9-12(10-8-11)18(20)21/h3-10H,1-2H3,(H,16,19)
InChI Key:
OMTNGMWZRPMOOV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1OS(=O)(=O)N(C)C)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.068g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.36g/mol
Monoisotopic Mass:
365.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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