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109179-31-9 | 2-Bromo-3-methylbenzaldehyde
CAS No: 109179-31-9 Catalog No: AG0096ZL MDL No:MFCD18392002
Product Description
Catalog Number:
AG0096ZL
Chemical Name:
2-Bromo-3-methylbenzaldehyde
CAS Number:
109179-31-9
Molecular Formula:
C8H7BrO
Molecular Weight:
199.0446
MDL Number:
MFCD18392002
IUPAC Name:
2-bromo-3-methylbenzaldehyde
InChI:
InChI=1S/C8H7BrO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
InChI Key:
CYQUDJGXCABLPN-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1Br)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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