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Home > Aldehydes > 205533-21-7
205533-21-7 | Benzaldehyde, 2-amino-5-bromo-3-methoxy-
CAS No: 205533-21-7 Catalog No: AG002A5M MDL No:
Product Description
Catalog Number:
AG002A5M
Chemical Name:
Benzaldehyde, 2-amino-5-bromo-3-methoxy-
CAS Number:
205533-21-7
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
IUPAC Name:
2-amino-5-bromo-3-methoxybenzaldehyde
InChI:
InChI=1S/C8H8BrNO2/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-4H,10H2,1H3
InChI Key:
CRSJJULUCAMCNL-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1N)C=O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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