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101935-40-4 | Phenol, 2-bromo-3-nitro-
CAS No: 101935-40-4 Catalog No: AG00060M MDL No:MFCD08704555
Product Description
Catalog Number:
AG00060M
Chemical Name:
Phenol, 2-bromo-3-nitro-
CAS Number:
101935-40-4
Molecular Formula:
C6H4BrNO3
Molecular Weight:
218.0049
MDL Number:
MFCD08704555
IUPAC Name:
2-bromo-3-nitrophenol
InChI:
InChI=1S/C6H4BrNO3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H
InChI Key:
HRVRWIBVVHOHNN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1Br)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.937g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.006g/mol
Monoisotopic Mass:
216.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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