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101327-84-8 | 2-Naphthalenecarboxaldehyde, 1-nitro-
CAS No: 101327-84-8 Catalog No: AG00048N MDL No:MFCD03427164
Product Description
Catalog Number:
AG00048N
Chemical Name:
2-Naphthalenecarboxaldehyde, 1-nitro-
CAS Number:
101327-84-8
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
MDL Number:
MFCD03427164
IUPAC Name:
1-nitronaphthalene-2-carbaldehyde
InChI:
InChI=1S/C11H7NO3/c13-7-9-6-5-8-3-1-2-4-10(8)11(9)12(14)15/h1-7H
InChI Key:
XQIMHJNMEFIADP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1[N+](=O)[O-])cccc2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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