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1131587-85-3 | Methyl 2-(aminomethyl)-5-bromobenzoate
CAS No: 1131587-85-3 Catalog No: AG003RL0 MDL No:
Product Description
Catalog Number:
AG003RL0
Chemical Name:
Methyl 2-(aminomethyl)-5-bromobenzoate
CAS Number:
1131587-85-3
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
IUPAC Name:
methyl 2-(aminomethyl)-5-bromobenzoate
InChI:
InChI=1S/C9H10BrNO2/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4H,5,11H2,1H3
InChI Key:
APRBPDMQILLKPH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ccc1CN
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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