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149550-37-8 | 4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(4-nitrophenyl)-
CAS No: 149550-37-8 Catalog No: AG001LTO MDL No:
Product Description
Catalog Number:
AG001LTO
Chemical Name:
4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(4-nitrophenyl)-
CAS Number:
149550-37-8
Molecular Formula:
C20H13N3O3
Molecular Weight:
343.3355
IUPAC Name:
2-amino-4-(4-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile
InChI:
InChI=1S/C20H13N3O3/c21-11-17-18(13-5-8-14(9-6-13)23(24)25)16-10-7-12-3-1-2-4-15(12)19(16)26-20(17)22/h1-10,18H,22H2
InChI Key:
ACGMQPXRVMJTKD-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)Oc2c(C1c1ccc(cc1)[N+](=O)[O-])ccc1c2cccc1
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.342g/mol
Monoisotopic Mass:
343.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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