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16650-14-9 | Spiro[2H-1-benzopyran-2,2'-[2H]indole], 6-bromo-1',3'-dihydro-1',3',3'-trimethyl-
CAS No: 16650-14-9 Catalog No: AG001WSR MDL No:MFCD00059896
Product Description
Catalog Number:
AG001WSR
Chemical Name:
Spiro[2H-1-benzopyran-2,2'-[2H]indole], 6-bromo-1',3'-dihydro-1',3',3'-trimethyl-
CAS Number:
16650-14-9
Molecular Formula:
C19H18BrNO
Molecular Weight:
356.2563
MDL Number:
MFCD00059896
IUPAC Name:
6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]
InChI:
InChI=1S/C19H18BrNO/c1-18(2)15-6-4-5-7-16(15)21(3)19(18)11-10-13-12-14(20)8-9-17(13)22-19/h4-12H,1-3H3
InChI Key:
BDULIJWZMMHIEQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C=CC1(O2)N(C)c2c(C1(C)C)cccc2
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.057g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.263g/mol
Monoisotopic Mass:
355.057g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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