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881181-53-9 | ACETALDEHYDE, 2-[[1-(4-BROMOPHENYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS No: 881181-53-9 Catalog No: AG004IH6 MDL No:
Product Description
Catalog Number:
AG004IH6
Chemical Name:
ACETALDEHYDE, 2-[[1-(4-BROMOPHENYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS Number:
881181-53-9
Molecular Formula:
C14H11BrO3
Molecular Weight:
307.1393
IUPAC Name:
2-[1-(4-bromophenyl)-4-oxocyclohexa-2,5-dien-1-yl]oxyacetaldehyde
InChI:
InChI=1S/C14H11BrO3/c15-12-3-1-11(2-4-12)14(18-10-9-16)7-5-13(17)6-8-14/h1-9H,10H2
InChI Key:
VVDNMYCRCHBSTP-UHFFFAOYSA-N
SMILES:
O=CCOC1(C=CC(=O)C=C1)c1ccc(cc1)Br
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.989g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.143g/mol
Monoisotopic Mass:
305.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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