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Home > Aldehydes > 400070-31-7
400070-31-7 | 3-BROMO-4-ISOPROPOXY-5-METHOXYBENZALDEHYDE
CAS No: 400070-31-7 Catalog No: AG00761P MDL No:MFCD02256544
Product Description
Catalog Number:
AG00761P
Chemical Name:
3-BROMO-4-ISOPROPOXY-5-METHOXYBENZALDEHYDE
CAS Number:
400070-31-7
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD02256544
IUPAC Name:
3-bromo-5-methoxy-4-propan-2-yloxybenzaldehyde
InChI:
InChI=1S/C11H13BrO3/c1-7(2)15-11-9(12)4-8(6-13)5-10(11)14-3/h4-7H,1-3H3
InChI Key:
FHSPPZIJAYIURQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(c(c1)OC)OC(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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