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954411-50-8 | 3-Bromo-6-methoxymethyl-7,9-dimethylphenanthridine
CAS No: 954411-50-8 Catalog No: AG01F05U MDL No:
Product Description
Catalog Number:
AG01F05U
Chemical Name:
3-Bromo-6-methoxymethyl-7,9-dimethylphenanthridine
CAS Number:
954411-50-8
Molecular Formula:
C17H16BrNO
Molecular Weight:
330.2190
IUPAC Name:
3-bromo-6-(methoxymethyl)-7,9-dimethylphenanthridine
InChI:
InChI=1S/C17H16BrNO/c1-10-6-11(2)17-14(7-10)13-5-4-12(18)8-15(13)19-16(17)9-20-3/h4-8H,9H2,1-3H3
InChI Key:
WPQRZGBRAYCTLN-UHFFFAOYSA-N
SMILES:
COCc1nc2cc(Br)ccc2c2c1c(C)cc(c2)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.042g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.225g/mol
Monoisotopic Mass:
329.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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