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113899-55-1 | Benzenemethanamine, 2-bromo-α-methyl-
CAS No: 113899-55-1 Catalog No: AG000A0W MDL No:MFCD05215385
Product Description
Catalog Number:
AG000A0W
Chemical Name:
Benzenemethanamine, 2-bromo-α-methyl-
CAS Number:
113899-55-1
Molecular Formula:
C8H10BrN
Molecular Weight:
200.0757
MDL Number:
MFCD05215385
IUPAC Name:
1-(2-bromophenyl)ethanamine
InChI:
InChI=1S/C8H10BrN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3
InChI Key:
DSAXBVQQKYZELF-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1Br)N
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.079g/mol
Monoisotopic Mass:
199g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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