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Home > Bromides > 1072069-57-8
1072069-57-8 | Methyl (2E)-4-(3-Bromophenyl)-4-oxobut-2-enoate
CAS No: 1072069-57-8 Catalog No: AG01F9PH MDL No:
Product Description
Catalog Number:
AG01F9PH
Chemical Name:
Methyl (2E)-4-(3-Bromophenyl)-4-oxobut-2-enoate
CAS Number:
1072069-57-8
Molecular Formula:
C11H9BrO3
Molecular Weight:
269.0914
IUPAC Name:
methyl (E)-4-(3-bromophenyl)-4-oxobut-2-enoate
InChI:
InChI=1S/C11H9BrO3/c1-15-11(14)6-5-10(13)8-3-2-4-9(12)7-8/h2-7H,1H3/b6-5+
InChI Key:
QQMYXGAUBKIEKR-AATRIKPKSA-N
SMILES:
COC(=O)/C=C/C(=O)c1cccc(c1)Br
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
267.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.094g/mol
Monoisotopic Mass:
267.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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