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23451-95-8 | Benzenethiol, 2-amino-5-bromo-
CAS No: 23451-95-8 Catalog No: AG002NAO MDL No:MFCD00839467
Product Description
Catalog Number:
AG002NAO
Chemical Name:
Benzenethiol, 2-amino-5-bromo-
CAS Number:
23451-95-8
Molecular Formula:
C6H6BrNS
Molecular Weight:
204.0875
MDL Number:
MFCD00839467
IUPAC Name:
2-amino-5-bromobenzenethiol
InChI:
InChI=1S/C6H6BrNS/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
InChI Key:
LDGHLZFFKMEAOE-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)S)N
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.94g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.085g/mol
Monoisotopic Mass:
202.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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