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19935-81-0 | Benzene, 1-(1-broMoethyl)-4-nitro-
CAS No: 19935-81-0 Catalog No: AG002C2Z MDL No:MFCD11634400
Product Description
Catalog Number:
AG002C2Z
Chemical Name:
Benzene, 1-(1-broMoethyl)-4-nitro-
CAS Number:
19935-81-0
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD11634400
IUPAC Name:
1-(1-bromoethyl)-4-nitrobenzene
InChI:
InChI=1S/C8H8BrNO2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,1H3
InChI Key:
LLTKPPRBFXTUKH-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)[N+](=O)[O-])Br
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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