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Home > Bromides > 1349718-56-4
1349718-56-4 | 4-Bromo-2-chloro-5-methylbenzoic acid
CAS No: 1349718-56-4 Catalog No: AG01FD1U MDL No:MFCD20233413
Product Description
Catalog Number:
AG01FD1U
Chemical Name:
4-Bromo-2-chloro-5-methylbenzoic acid
CAS Number:
1349718-56-4
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD20233413
IUPAC Name:
4-bromo-2-chloro-5-methylbenzoic acid
InChI:
InChI=1S/C8H6BrClO2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3H,1H3,(H,11,12)
InChI Key:
QNHHXEHGMXANPR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(cc1Cl)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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