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1445322-56-4 | Benzoic acid, 2-amino-4-bromo-5-chloro-, methyl ester
CAS No: 1445322-56-4 Catalog No: AG001JPR MDL No:MFCD25121752
Product Description
Catalog Number:
AG001JPR
Chemical Name:
Benzoic acid, 2-amino-4-bromo-5-chloro-, methyl ester
CAS Number:
1445322-56-4
Molecular Formula:
C8H7BrClNO2
Molecular Weight:
264.5037
MDL Number:
MFCD25121752
IUPAC Name:
methyl 2-amino-4-bromo-5-chlorobenzoate
InChI:
InChI=1S/C8H7BrClNO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3
InChI Key:
MVUXWLVSWKZDLJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(cc1N)Br
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.503g/mol
Monoisotopic Mass:
262.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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