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1260897-85-5 | Benzoic acid, 2-(aminomethyl)-4-bromo-
CAS No: 1260897-85-5 Catalog No: AG000RK9 MDL No:MFCD13193618
Product Description
Catalog Number:
AG000RK9
Chemical Name:
Benzoic acid, 2-(aminomethyl)-4-bromo-
CAS Number:
1260897-85-5
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD13193618
IUPAC Name:
2-(aminomethyl)-4-bromobenzoic acid
InChI:
InChI=1S/C8H8BrNO2/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,4,10H2,(H,11,12)
InChI Key:
DWLWEKHGPNLMQP-UHFFFAOYSA-N
SMILES:
NCc1cc(Br)ccc1C(=O)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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