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824-54-4 | 2-Bromo-4-methylbenzaldehyde
CAS No: 824-54-4 Catalog No: AG008JKR MDL No:MFCD04039890
Product Description
Catalog Number:
AG008JKR
Chemical Name:
2-Bromo-4-methylbenzaldehyde
CAS Number:
824-54-4
Molecular Formula:
C8H7BrO
Molecular Weight:
199.0446
MDL Number:
MFCD04039890
IUPAC Name:
2-bromo-4-methylbenzaldehyde
InChI:
InChI=1S/C8H7BrO/c1-6-2-3-7(5-10)8(9)4-6/h2-5H,1H3
InChI Key:
MUZMDYCVUCMIDC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Br)C
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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