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Home > Nitro Compounds > 84571-09-5
84571-09-5 | Quinazoline, 1,2,3,4-tetrahydro-2-(4-nitrophenyl)-
CAS No: 84571-09-5 Catalog No: AG0052MP MDL No:
Product Description
Catalog Number:
AG0052MP
Chemical Name:
Quinazoline, 1,2,3,4-tetrahydro-2-(4-nitrophenyl)-
CAS Number:
84571-09-5
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline
InChI:
InChI=1S/C14H13N3O2/c18-17(19)12-7-5-10(6-8-12)14-15-9-11-3-1-2-4-13(11)16-14/h1-8,14-16H,9H2
InChI Key:
DKBMMCHWCMHPFE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1NCc2c(N1)cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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