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186191-19-5 | 3-(2-BROMOETHOXY)BENZENECARBALDEHYDE
CAS No: 186191-19-5 Catalog No: AG00AMRU MDL No:MFCD00665178
Product Description
Catalog Number:
AG00AMRU
Chemical Name:
3-(2-BROMOETHOXY)BENZENECARBALDEHYDE
CAS Number:
186191-19-5
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00665178
IUPAC Name:
3-(2-bromoethoxy)benzaldehyde
InChI:
InChI=1S/C9H9BrO2/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6-7H,4-5H2
InChI Key:
FYSRAGLPXRVAPN-UHFFFAOYSA-N
SMILES:
BrCCOc1cccc(c1)C=O
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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