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83846-59-7 | Butanal,2-[(4-bromophenyl)chloromethylene]-
CAS No: 83846-59-7 Catalog No: AG004S61 MDL No:
Product Description
Catalog Number:
AG004S61
Chemical Name:
Butanal,2-[(4-bromophenyl)chloromethylene]-
CAS Number:
83846-59-7
Molecular Formula:
C11H10BrClO
Molecular Weight:
273.5535
IUPAC Name:
2-[(4-bromophenyl)-chloromethylidene]butanal
InChI:
InChI=1S/C11H10BrClO/c1-2-8(7-14)11(13)9-3-5-10(12)6-4-9/h3-7H,2H2,1H3
InChI Key:
MFLLXFXIPFSAFE-UHFFFAOYSA-N
SMILES:
CCC(=C(c1ccc(cc1)Br)Cl)C=O
EC Number:
281-036-6
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.554g/mol
Monoisotopic Mass:
271.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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