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88187-00-2 | 2H-1-Benzopyran, 3,3-dibromo-3,4-dihydro-2-phenyl-
CAS No: 88187-00-2 Catalog No: AG004E2D MDL No:
Product Description
Catalog Number:
AG004E2D
Chemical Name:
2H-1-Benzopyran, 3,3-dibromo-3,4-dihydro-2-phenyl-
CAS Number:
88187-00-2
Molecular Formula:
C15H12Br2O
Molecular Weight:
368.0632
IUPAC Name:
3,3-dibromo-2-phenyl-2,4-dihydrochromene
InChI:
InChI=1S/C15H12Br2O/c16-15(17)10-12-8-4-5-9-13(12)18-14(15)11-6-2-1-3-7-11/h1-9,14H,10H2
InChI Key:
LKDSKAQUIWHVKM-UHFFFAOYSA-N
SMILES:
BrC1(Br)Cc2ccccc2OC1c1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.923g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.068g/mol
Monoisotopic Mass:
365.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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