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Home > Nitro Compounds > 449745-74-8
449745-74-8 | 2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
CAS No: 449745-74-8 Catalog No: AG00ITFQ MDL No:MFCD00245873
Product Description
Catalog Number:
AG00ITFQ
Chemical Name:
2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
CAS Number:
449745-74-8
Molecular Formula:
C15H11N3O3S
Molecular Weight:
313.3311
MDL Number:
MFCD00245873
IUPAC Name:
2-[(4-nitrophenyl)methylsulfanyl]-3H-quinazolin-4-one
InChI:
InChI=1S/C15H11N3O3S/c19-14-12-3-1-2-4-13(12)16-15(17-14)22-9-10-5-7-11(8-6-10)18(20)21/h1-8H,9H2,(H,16,17,19)
InChI Key:
ASHQVUBDHNQTIG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CSc1nc2ccccc2c(=O)[nH]1
NSC Number:
147881
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.331g/mol
Monoisotopic Mass:
313.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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