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Home > Nitro Compounds > 62967-27-5
62967-27-5 | p-(p-Nitroanilino)phenyl isocyanate
CAS No: 62967-27-5 Catalog No: AG00F5NX MDL No:
Product Description
Catalog Number:
AG00F5NX
Chemical Name:
p-(p-Nitroanilino)phenyl isocyanate
CAS Number:
62967-27-5
IUPAC Name:
4-isocyanato-N-(4-nitrophenyl)aniline
InChI:
InChI=1S/C13H9N3O3/c17-9-14-10-1-3-11(4-2-10)15-12-5-7-13(8-6-12)16(18)19/h1-8,15H
InChI Key:
QSGQZDCTAJVFHA-UHFFFAOYSA-N
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.233g/mol
Monoisotopic Mass:
255.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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