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2045-18-3 | Benzoic acid, 4-[bis(2-bromoethyl)amino]-
CAS No: 2045-18-3 Catalog No: AG0029JL MDL No:
Product Description
Catalog Number:
AG0029JL
Chemical Name:
Benzoic acid, 4-[bis(2-bromoethyl)amino]-
CAS Number:
2045-18-3
Molecular Formula:
C11H13Br2NO2
Molecular Weight:
351.0344
IUPAC Name:
4-[bis(2-bromoethyl)amino]benzoic acid
InChI:
InChI=1S/C11H13Br2NO2/c12-5-7-14(8-6-13)10-3-1-9(2-4-10)11(15)16/h1-4H,5-8H2,(H,15,16)
InChI Key:
PDMWTJJWTBLAOZ-UHFFFAOYSA-N
SMILES:
BrCCN(c1ccc(cc1)C(=O)O)CCBr
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.929g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.038g/mol
Monoisotopic Mass:
348.931g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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