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17954-11-9 | Benzaldehyde, 2-(3-bromopropoxy)-
CAS No: 17954-11-9 Catalog No: AG00273G MDL No:
Product Description
Catalog Number:
AG00273G
Chemical Name:
Benzaldehyde, 2-(3-bromopropoxy)-
CAS Number:
17954-11-9
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
2-(3-bromopropoxy)benzaldehyde
InChI:
InChI=1S/C10H11BrO2/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-2,4-5,8H,3,6-7H2
InChI Key:
XICQIIJKZUOCDK-UHFFFAOYSA-N
SMILES:
BrCCCOc1ccccc1C=O
NSC Number:
84067
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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