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1208076-16-7 | 3-Amino-2,4-dibromo-6-chlorobenzoic acid
CAS No: 1208076-16-7 Catalog No: AG01FBX1 MDL No:MFCD12547830
Product Description
Catalog Number:
AG01FBX1
Chemical Name:
3-Amino-2,4-dibromo-6-chlorobenzoic acid
CAS Number:
1208076-16-7
Molecular Formula:
C7H4Br2ClNO2
Molecular Weight:
329.3732
MDL Number:
MFCD12547830
IUPAC Name:
3-amino-2,4-dibromo-6-chlorobenzoic acid
InChI:
InChI=1S/C7H4Br2ClNO2/c8-2-1-3(10)4(7(12)13)5(9)6(2)11/h1H,11H2,(H,12,13)
InChI Key:
GKKHMSREATWSKI-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)cc(c(c1Br)N)Br
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.828g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.372g/mol
Monoisotopic Mass:
326.83g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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