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88186-84-9 | 2H-1-Benzopyran, 3-bromo-3,4-dihydro-2-phenyl-, cis-
CAS No: 88186-84-9 Catalog No: AG004E2G MDL No:
Product Description
Catalog Number:
AG004E2G
Chemical Name:
2H-1-Benzopyran, 3-bromo-3,4-dihydro-2-phenyl-, cis-
CAS Number:
88186-84-9
Molecular Formula:
C15H13BrO
Molecular Weight:
289.1671
IUPAC Name:
(2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C15H13BrO/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15H,10H2/t13-,15-/m0/s1
InChI Key:
INJYKLDBVVBBFQ-ZFWWWQNUSA-N
SMILES:
Br[C@H]1Cc2ccccc2O[C@H]1c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
288.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.172g/mol
Monoisotopic Mass:
288.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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