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116274-14-7 | Benzoic acid, 4-(bromomethyl)-, hydrazide
CAS No: 116274-14-7 Catalog No: AG000C3B MDL No:
Product Description
Catalog Number:
AG000C3B
Chemical Name:
Benzoic acid, 4-(bromomethyl)-, hydrazide
CAS Number:
116274-14-7
Molecular Formula:
C8H9BrN2O
Molecular Weight:
229.0739
IUPAC Name:
4-(bromomethyl)benzohydrazide
InChI:
InChI=1S/C8H9BrN2O/c9-5-6-1-3-7(4-2-6)8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChI Key:
ZGOROAWVRUSDDV-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)C(=O)NN
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.077g/mol
Monoisotopic Mass:
227.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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