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88988-96-9 | 2H-Naphtho[1,2-b]pyran-2-amine, N-(4-bromophenyl)-6-methyl-
CAS No: 88988-96-9 Catalog No: AG0045JG MDL No:
Product Description
Catalog Number:
AG0045JG
Chemical Name:
2H-Naphtho[1,2-b]pyran-2-amine, N-(4-bromophenyl)-6-methyl-
CAS Number:
88988-96-9
Molecular Formula:
C20H16BrNO
Molecular Weight:
366.2511
IUPAC Name:
N-(4-bromophenyl)-6-methyl-2H-benzo[h]chromen-2-amine
InChI:
InChI=1S/C20H16BrNO/c1-13-12-14-6-11-19(22-16-9-7-15(21)8-10-16)23-20(14)18-5-3-2-4-17(13)18/h2-12,19,22H,1H3
InChI Key:
KGSWTLKMGBXRBM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC1C=Cc2c(O1)c1ccccc1c(c2)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.042g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.258g/mol
Monoisotopic Mass:
365.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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