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116047-27-9 | 1(2H)-Naphthalenone, 7-bromo-3,4-dihydro-2-(phenylmethylene)-
CAS No: 116047-27-9 Catalog No: AG000BHJ MDL No:
Product Description
Catalog Number:
AG000BHJ
Chemical Name:
1(2H)-Naphthalenone, 7-bromo-3,4-dihydro-2-(phenylmethylene)-
CAS Number:
116047-27-9
Molecular Formula:
C17H13BrO
Molecular Weight:
313.1885
IUPAC Name:
2-benzylidene-7-bromo-3,4-dihydronaphthalen-1-one
InChI:
InChI=1S/C17H13BrO/c18-15-9-8-13-6-7-14(17(19)16(13)11-15)10-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2
InChI Key:
YCRZFEMZBMBFGN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)C(=Cc1ccccc1)CC2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.194g/mol
Monoisotopic Mass:
312.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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