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143769-25-9 | Benzoic acid, 2-amino-3,5-dibromo-6-chloro-
CAS No: 143769-25-9 Catalog No: AG001IBU MDL No:MFCD00052697
Product Description
Catalog Number:
AG001IBU
Chemical Name:
Benzoic acid, 2-amino-3,5-dibromo-6-chloro-
CAS Number:
143769-25-9
Molecular Formula:
C7H4Br2ClNO2
Molecular Weight:
329.3732
MDL Number:
MFCD00052697
IUPAC Name:
2-amino-3,5-dibromo-6-chlorobenzoic acid
InChI:
InChI=1S/C7H4Br2ClNO2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,11H2,(H,12,13)
InChI Key:
YCVONUPUCAHKJM-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)c(Br)cc(c1Cl)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:
3.3
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