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Home > Indoles and Oxindole > 784-45-2
784-45-2 | 3-nitroso-2-phenyl-1H-indole
CAS No: 784-45-2 Catalog No: AG00JGYG MDL No:MFCD05259378
Product Description
Catalog Number:
AG00JGYG
Chemical Name:
3-nitroso-2-phenyl-1H-indole
CAS Number:
784-45-2
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
MDL Number:
MFCD05259378
IUPAC Name:
3-nitroso-2-phenyl-1H-indole
InChI:
InChI=1S/C14H10N2O/c17-16-14-11-8-4-5-9-12(11)15-13(14)10-6-2-1-3-7-10/h1-9,15H
InChI Key:
OKRIMXDIYQGPBU-UHFFFAOYSA-N
SMILES:
O=Nc1c([nH]c2c1cccc2)c1ccccc1
NSC Number:
400618
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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