methyl 5-amino-2-bromo-4-methylbenzoate


Chemical Name: methyl 5-amino-2-bromo-4-methylbenzoate
CAS Number: 474330-54-6
Product Number: AG00DK50(AGN-PC-0BKESU)
Synonyms:
MDL No:
Molecular Formula: C9H10BrNO2
Molecular Weight: 244.0852

Identification/Properties


Properties
BP:
328.4±37.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
244.088g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
242.989g/mol
Monoisotopic Mass:
242.989g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
198
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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