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130462-63-4 | Benzenamine, 3-(bromomethyl)-
CAS No: 130462-63-4 Catalog No: AG000UGE MDL No:
Product Description
Catalog Number:
AG000UGE
Chemical Name:
Benzenamine, 3-(bromomethyl)-
CAS Number:
130462-63-4
Molecular Formula:
C7H8BrN
Molecular Weight:
186.0491
IUPAC Name:
3-(bromomethyl)aniline
InChI:
InChI=1S/C7H8BrN/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,9H2
InChI Key:
RRLCUHSIABCHRW-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)N
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.984g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.052g/mol
Monoisotopic Mass:
184.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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