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180002-31-7 | 1H-Inden-1-amine, 2,3-dihydro-4-nitro-
CAS No: 180002-31-7 Catalog No: AG0021L3 MDL No:MFCD18207630
Product Description
Catalog Number:
AG0021L3
Chemical Name:
1H-Inden-1-amine, 2,3-dihydro-4-nitro-
CAS Number:
180002-31-7
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD18207630
IUPAC Name:
4-nitro-2,3-dihydro-1H-inden-1-amine
InChI:
InChI=1S/C9H10N2O2/c10-8-5-4-7-6(8)2-1-3-9(7)11(12)13/h1-3,8H,4-5,10H2
InChI Key:
RCVWWESVVPXRIX-UHFFFAOYSA-N
SMILES:
NC1CCc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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