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5433-01-2 | 3-Bromocumene
CAS No: 5433-01-2 Catalog No: AG0033MT MDL No:MFCD01318112
Product Description
Catalog Number:
AG0033MT
Chemical Name:
3-Bromocumene
CAS Number:
5433-01-2
Molecular Formula:
C9H11Br
Molecular Weight:
199.0876
MDL Number:
MFCD01318112
IUPAC Name:
1-bromo-3-propan-2-ylbenzene
InChI:
InChI=1S/C9H11Br/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,1-2H3
InChI Key:
GBSGGFCCQZUXNB-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(C)C
NSC Number:
29089
Properties
Complexity:
98.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.091g/mol
Monoisotopic Mass:
198.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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