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78775-11-8 | 4-Bromo-3-Methyl-Benzaldehyde
CAS No: 78775-11-8 Catalog No: AG0036HI MDL No:MFCD07787170
Product Description
Catalog Number:
AG0036HI
Chemical Name:
4-Bromo-3-Methyl-Benzaldehyde
CAS Number:
78775-11-8
Molecular Formula:
C8H7BrO
Molecular Weight:
199.0446
MDL Number:
MFCD07787170
IUPAC Name:
4-bromo-3-methylbenzaldehyde
InChI:
InChI=1S/C8H7BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
InChI Key:
YBXGUHGVNUFFJU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)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:
3.1
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