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7617-70-1 | Benzaldehyde, 4-(2-bromoethyl)-
CAS No: 7617-70-1 Catalog No: AG005FEK MDL No:
Product Description
Catalog Number:
AG005FEK
Chemical Name:
Benzaldehyde, 4-(2-bromoethyl)-
CAS Number:
7617-70-1
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
IUPAC Name:
4-(2-bromoethyl)benzaldehyde
InChI:
InChI=1S/C9H9BrO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,7H,5-6H2
InChI Key:
WJEZEUJKYFXNKJ-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(cc1)C=O
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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