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828267-57-8 | 2-Pyrrolidinone, 1-[1-(1-bromo-2-naphthalenyl)ethenyl]-
CAS No: 828267-57-8 Catalog No: AG004XKY MDL No:
Product Description
Catalog Number:
AG004XKY
Chemical Name:
2-Pyrrolidinone, 1-[1-(1-bromo-2-naphthalenyl)ethenyl]-
CAS Number:
828267-57-8
Molecular Formula:
C16H14BrNO
Molecular Weight:
316.1925
IUPAC Name:
1-[1-(1-bromonaphthalen-2-yl)ethenyl]pyrrolidin-2-one
InChI:
InChI=1S/C16H14BrNO/c1-11(18-10-4-7-15(18)19)13-9-8-12-5-2-3-6-14(12)16(13)17/h2-3,5-6,8-9H,1,4,7,10H2
InChI Key:
SBIFTCCLQYYYEP-UHFFFAOYSA-N
SMILES:
O=C1CCCN1C(=C)c1ccc2c(c1Br)cccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.198g/mol
Monoisotopic Mass:
315.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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