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Home > Aldehydes > 188813-04-9
188813-04-9 | Benzaldehyde, 3-bromo-5-methyl-
CAS No: 188813-04-9 Catalog No: AG002HCH MDL No:MFCD09836680
Product Description
Catalog Number:
AG002HCH
Chemical Name:
Benzaldehyde, 3-bromo-5-methyl-
CAS Number:
188813-04-9
Molecular Formula:
C8H7BrO
Molecular Weight:
199.0446
MDL Number:
MFCD09836680
IUPAC Name:
3-bromo-5-methylbenzaldehyde
InChI:
InChI=1S/C8H7BrO/c1-6-2-7(5-10)4-8(9)3-6/h2-5H,1H3
InChI Key:
DMSLPBFUZSQMQT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1)Br
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.047g/mol
Monoisotopic Mass:
197.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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