Name: Name:Benzoic acid, 4-(aminomethyl)-3-bromo-, methyl ester
Brand: Angene
SKU: AG000R2C
Rating: 90 (10 reviews)

Benzoic acid, 4-(aminomethyl)-3-bromo-, methyl ester

CAS No.:

1260679-57-9

Catalog Number:

AG000R2C

Molecular Formula:

C9H10BrNO2

Molecular Weight:

244.0852

Catalog Number:

AG000R2C

Chemical Name:

Benzoic acid, 4-(aminomethyl)-3-bromo-, methyl ester

CAS Number:

1260679-57-9

Molecular Formula:

C9H10BrNO2

Molecular Weight:

244.0852

MDL Number:

MFCD16036865

IUPAC Name:

methyl 4-(aminomethyl)-3-bromobenzoate

InChI:

InChI=1S/C9H10BrNO2/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4H,5,11H2,1H3

InChI Key:

PQHVNMAJMLQYLJ-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(c(c1)Br)CN

Complexity:

187

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.989g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.088g/mol

Monoisotopic Mass:

242.989g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3