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115378-21-7 | Benzoic acid, 2-amino-5-bromo-3-methoxy-, methyl ester
CAS No: 115378-21-7 Catalog No: AG000GNX MDL No:
Product Description
Catalog Number:
AG000GNX
Chemical Name:
Benzoic acid, 2-amino-5-bromo-3-methoxy-, methyl ester
CAS Number:
115378-21-7
Molecular Formula:
C9H10BrNO3
Molecular Weight:
260.0846
IUPAC Name:
methyl 2-amino-5-bromo-3-methoxybenzoate
InChI:
InChI=1S/C9H10BrNO3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,11H2,1-2H3
InChI Key:
RVTIPPUCNSLRLU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1N)OC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.984g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.087g/mol
Monoisotopic Mass:
258.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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