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Home > Nitro Compounds > 313986-04-8
313986-04-8 | 3-(4-Nitrobenzyl)-1,3-benzoxazol-2(3H)-one
CAS No: 313986-04-8 Catalog No: AG00I5XP MDL No:MFCD00692457
Product Description
Catalog Number:
AG00I5XP
Chemical Name:
3-(4-Nitrobenzyl)-1,3-benzoxazol-2(3H)-one
CAS Number:
313986-04-8
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
MDL Number:
MFCD00692457
IUPAC Name:
3-[(4-nitrophenyl)methyl]-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H10N2O4/c17-14-15(12-3-1-2-4-13(12)20-14)9-10-5-7-11(8-6-10)16(18)19/h1-8H,9H2
InChI Key:
LJQPVRSJTZNENL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Cn1c(=O)oc2c1cccc2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.244g/mol
Monoisotopic Mass:
270.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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