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138991-00-1 | 4H-1-Benzopyran-4-one, 3-[[(4-bromophenyl)imino]methyl]-
CAS No: 138991-00-1 Catalog No: AG0019ZO MDL No:
Product Description
Catalog Number:
AG0019ZO
Chemical Name:
4H-1-Benzopyran-4-one, 3-[[(4-bromophenyl)imino]methyl]-
CAS Number:
138991-00-1
Molecular Formula:
C16H10BrNO2
Molecular Weight:
328.1601
IUPAC Name:
3-[(4-bromophenyl)iminomethyl]chromen-4-one
InChI:
InChI=1S/C16H10BrNO2/c17-12-5-7-13(8-6-12)18-9-11-10-20-15-4-2-1-3-14(15)16(11)19/h1-10H
InChI Key:
FANGCBLBFHPYRX-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N=Cc1coc2c(c1=O)cccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.989g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.165g/mol
Monoisotopic Mass:
326.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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