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1803887-06-0 | 5-nitro-1,3-benzoxazole-2-carbaldehyde
CAS No: 1803887-06-0 Catalog No: AG01AUII MDL No:MFCD28804468
Product Description
Catalog Number:
AG01AUII
Chemical Name:
5-nitro-1,3-benzoxazole-2-carbaldehyde
CAS Number:
1803887-06-0
Molecular Formula:
C8H4N2O4
Molecular Weight:
192.1284
MDL Number:
MFCD28804468
IUPAC Name:
5-nitro-1,3-benzoxazole-2-carbaldehyde
InChI:
InChI=1S/C8H4N2O4/c11-4-8-9-6-3-5(10(12)13)1-2-7(6)14-8/h1-4H
InChI Key:
YSCAUYTYJXOCBI-UHFFFAOYSA-N
SMILES:
O=Cc1oc2c(n1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.13g/mol
Monoisotopic Mass:
192.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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