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20864-49-7 | Ethanone, 1-(2-amino-3-nitrophenyl)-
CAS No: 20864-49-7 Catalog No: AG002JTD MDL No:
Product Description
Catalog Number:
AG002JTD
Chemical Name:
Ethanone, 1-(2-amino-3-nitrophenyl)-
CAS Number:
20864-49-7
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
IUPAC Name:
1-(2-amino-3-nitrophenyl)ethanone
InChI:
InChI=1S/C8H8N2O3/c1-5(11)6-3-2-4-7(8(6)9)10(12)13/h2-4H,9H2,1H3
InChI Key:
VJWBEISSWTXNRJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1N)[N+](=O)[O-]
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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